ChemSpider 2D Image | Benzyl [(2S)-3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl](2-phenylethyl)carbamate | C32H40N2O6S

Benzyl [(2S)-3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl](2-phenylethyl)carbamate

  • Molecular FormulaC32H40N2O6S
  • Average mass580.735 Da
  • Monoisotopic mass580.260681 Da
  • ChemSpider ID416476

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-3-{(Cyclopentylméthyl)[(4-méthoxyphényl)sulfonyl]amino}-2-hydroxypropyl](2-phényléthyl)carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [(2S)-3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl](2-phenylethyl)carbamate [ACD/IUPAC Name]
Benzyl-[(2S)-3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl](2-phenylethyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(2S)-3-[(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino]-2-hydroxypropyl]-N-(2-phenylethyl)-, phenylmethyl ester [ACD/Index Name]
{(S)-3-[Cyclopentylmethyl-(4-methoxy-benzenesulfonyl)-amino]-2-hydroxy-propyl}-phenethyl-carbamic acid benzyl ester
CHEMBL121146
N-((2S)-3-{(Cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)-N-(2-phenylethyl)(phenylmethoxy)carboxamide

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

AIDS082067 [DBID]
AIDS-082067 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 735.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 398.9±35.7 °C
Index of Refraction: 1.595
Molar Refractivity: 160.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.49
ACD/LogD (pH 5.5): 6.72
ACD/BCF (pH 5.5): 75446.45
ACD/KOC (pH 5.5): 107893.13
ACD/LogD (pH 7.4): 6.72
ACD/BCF (pH 7.4): 75446.37
ACD/KOC (pH 7.4): 107893.02
Polar Surface Area: 105 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 472.8±3.0 cm3

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