ChemSpider 2D Image | N-{(1R,2R)-2-[(4-Methoxybenzoyl)(3-methylbenzyl)amino]cyclohexyl}-1-(2-thienylacetyl)-L-prolinamide | C33H39N3O4S

N-{(1R,2R)-2-[(4-Methoxybenzoyl)(3-methylbenzyl)amino]cyclohexyl}-1-(2-thienylacetyl)-L-prolinamide

  • Molecular FormulaC33H39N3O4S
  • Average mass573.745 Da
  • Monoisotopic mass573.266113 Da
  • ChemSpider ID29233787

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Pyrrolidinecarboxamide, N-[(1R,2R)-2-[(4-methoxybenzoyl)[(3-methylphenyl)methyl]amino]cyclohexyl]-1-[2-(2-thienyl)acetyl]-, (2S)- [ACD/Index Name]
N-{(1R,2R)-2-[(4-Methoxybenzoyl)(3-methylbenzyl)amino]cyclohexyl}-1-(2-thienylacetyl)-L-prolinamid [German] [ACD/IUPAC Name]
N-{(1R,2R)-2-[(4-Methoxybenzoyl)(3-methylbenzyl)amino]cyclohexyl}-1-(2-thienylacetyl)-L-prolinamide [ACD/IUPAC Name]
N-{(1R,2R)-2-[(4-Méthoxybenzoyl)(3-méthylbenzyl)amino]cyclohexyl}-1-[2-(2-thiényl)acétyl]-L-prolinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 829.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 455.5±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 162.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2366.43
ACD/KOC (pH 5.5): 9052.58
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2366.43
ACD/KOC (pH 7.4): 9052.58
Polar Surface Area: 107 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 455.3±5.0 cm3

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