ChemSpider 2D Image | Cyclopentyl {(2S)-1-[(5S)-3-(4-cyclohexylphenyl)-5-({(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}carbamoyl)-1-imidazolidinyl]-3,3-dimethyl-1-oxo-2-butanyl}carbamate | C37H53N5O7S

Cyclopentyl {(2S)-1-[(5S)-3-(4-cyclohexylphenyl)-5-({(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}carbamoyl)-1-imidazolidinyl]-3,3-dimethyl-1-oxo-2-butanyl}carbamate

  • Molecular FormulaC37H53N5O7S
  • Average mass711.911 Da
  • Monoisotopic mass711.366577 Da
  • ChemSpider ID34950325

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{(2S)-1-[(5S)-3-(4-Cyclohexylphényl)-5-({(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}carbamoyl)-1-imidazolidinyl]-3,3-diméthyl-1-oxo-2-butanyl}carbamate de cyclopentyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[[(5S)-3-(4-cyclohexylphenyl)-5-[[[(1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]amino]carbonyl]-1-imidazolidinyl]carbonyl]-2,2-dimethylpropyl]-, cyclo pentyl ester [ACD/Index Name]
Cyclopentyl {(2S)-1-[(5S)-3-(4-cyclohexylphenyl)-5-({(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}carbamoyl)-1-imidazolidinyl]-3,3-dimethyl-1-oxo-2-butanyl}carbamate [ACD/IUPAC Name]
Cyclopentyl-{(2S)-1-[(5S)-3-(4-cyclohexylphenyl)-5-({(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}carbamoyl)-1-imidazolidinyl]-3,3-dimethyl-1-oxo-2-butanyl}carbamat [German] [ACD/IUPAC Name]
US8476225, 38

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 189.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 129.64
ACD/KOC (pH 5.5): 614.65
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 12.82
ACD/KOC (pH 7.4): 60.78
Polar Surface Area: 163 Å2
Polarizability: 75.1±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 545.4±5.0 cm3

Click to predict properties on the Chemicalize site


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