ChemSpider 2D Image | Ethyl 2-{[(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acetyl]amino}-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C33H39N3O4S

Ethyl 2-{[(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acetyl]amino}-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC33H39N3O4S
  • Average mass573.745 Da
  • Monoisotopic mass573.266113 Da
  • ChemSpider ID2383122

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-{[2-(8-Cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acétyl]amino}-7-oxo-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[[2-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-7-oxo-, ethyl ester [ACD/Index Name]
Ethyl 2-{[(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acetyl]amino}-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-{[(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acetyl]amino}-7-oxo-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
337488-86-5 [RN]
AC1MJ1FM
AGN-PC-0K8PQZ
Ethyl 2-({[(3aS)-8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl]acetyl}amino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
ethyl 2-(2-(8-cyclohexyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-3(2H)-yl)acetamido)-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
MolPort-002-811-125
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AH-262/37288002 [DBID]
BAS 01313075 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 827.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 120.3±3.0 kJ/mol
    Flash Point: 454.3±34.3 °C
    Index of Refraction: 1.724
    Molar Refractivity: 159.3±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 9.02
    ACD/LogD (pH 5.5): 6.95
    ACD/BCF (pH 5.5): 73900.70
    ACD/KOC (pH 5.5): 64410.07
    ACD/LogD (pH 7.4): 7.69
    ACD/BCF (pH 7.4): 406030.06
    ACD/KOC (pH 7.4): 353886.03
    Polar Surface Area: 109 Å2
    Polarizability: 63.2±0.5 10-24cm3
    Surface Tension: 58.6±7.0 dyne/cm
    Molar Volume: 401.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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