ChemSpider 2D Image | Methyl (cyclopentylmethyl)(1-{(3S)-4-[methyl(phenylsulfonyl)amino]-3-phenylbutyl}-4-piperidinyl)carbamate | C30H43N3O4S

Methyl (cyclopentylmethyl)(1-{(3S)-4-[methyl(phenylsulfonyl)amino]-3-phenylbutyl}-4-piperidinyl)carbamate

  • Molecular FormulaC30H43N3O4S
  • Average mass541.745 Da
  • Monoisotopic mass541.297424 Da
  • ChemSpider ID23181372

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(Cyclopentylméthyl)(1-{(3S)-4-[méthyl(phénylsulfonyl)amino]-3-phénylbutyl}-4-pipéridinyl)carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-(cyclopentylmethyl)-N-[1-[(3S)-4-[methyl(phenylsulfonyl)amino]-3-phenylbutyl]-4-piperidinyl]-, methyl ester [ACD/Index Name]
Methyl (cyclopentylmethyl)(1-{(3S)-4-[methyl(phenylsulfonyl)amino]-3-phenylbutyl}-4-piperidinyl)carbamate [ACD/IUPAC Name]
methyl (cyclopentylmethyl)(1-{(3S)-4-[methyl(phenylsulfonyl)amino]-3-phenylbutyl}piperidin-4-yl)carbamate
Methyl-(cyclopentylmethyl)(1-{(3S)-4-[methyl(phenylsulfonyl)amino]-3-phenylbutyl}-4-piperidinyl)carbamat [German] [ACD/IUPAC Name]
{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-cyclopentylmethyl-carbamic acid methyl ester
CHEMBL92013

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

Density: 1.2±0.1 g/cm3
Boiling Point: 661.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.7±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 153.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 27.74
ACD/KOC (pH 5.5): 66.09
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 1281.58
ACD/KOC (pH 7.4): 3053.16
Polar Surface Area: 79 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 447.8±5.0 cm3

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