ChemSpider 2D Image | Ethyl 1-{4-(heptanoylamino)-2-[(1-phenylethyl)sulfamoyl]phenyl}-3-piperidinecarboxylate | C29H41N3O5S

Ethyl 1-{4-(heptanoylamino)-2-[(1-phenylethyl)sulfamoyl]phenyl}-3-piperidinecarboxylate

  • Molecular FormulaC29H41N3O5S
  • Average mass543.718 Da
  • Monoisotopic mass543.276672 Da
  • ChemSpider ID22794750

More details:

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

1-{4-(Heptanoylamino)-2-[(1-phényléthyl)sulfamoyl]phényl}-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[4-[(1-oxoheptyl)amino]-2-[[(1-phenylethyl)amino]sulfonyl]phenyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{4-(heptanoylamino)-2-[(1-phenylethyl)sulfamoyl]phenyl}-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{4-(heptanoylamino)-2-[(1-phenylethyl)sulfamoyl]phenyl}-3-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.566
Molar Refractivity: 150.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9496.78
ACD/KOC (pH 5.5): 24422.16
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9569.03
ACD/KOC (pH 7.4): 24607.99
Polar Surface Area: 113 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 460.0±3.0 cm3

Click to predict properties on the Chemicalize site


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