ChemSpider 2D Image | Propyl (cyclohexylmethyl)(1-{4-[methyl(phenylsulfonyl)amino]-3-phenylbutyl}-4-piperidinyl)carbamate | C33H49N3O4S

Propyl (cyclohexylmethyl)(1-{4-[methyl(phenylsulfonyl)amino]-3-phenylbutyl}-4-piperidinyl)carbamate

  • Molecular FormulaC33H49N3O4S
  • Average mass583.825 Da
  • Monoisotopic mass583.344360 Da
  • ChemSpider ID419843

More details:

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

(Cyclohexylméthyl)(1-{4-[méthyl(phénylsulfonyl)amino]-3-phénylbutyl}-4-pipéridinyl)carbamate de propyle [French] [ACD/IUPAC Name]
Carbamic acid, (cyclohexylmethyl)[1-[4-[methyl(phenylsulfonyl)amino]-3-phenylbutyl]-4-piperidinyl]-, propyl ester
Carbamic acid, N-(cyclohexylmethyl)-N-[1-[4-[methyl(phenylsulfonyl)amino]-3-phenylbutyl]-4-piperidinyl]-, propyl ester [ACD/Index Name]
Propyl (cyclohexylmethyl)(1-{4-[methyl(phenylsulfonyl)amino]-3-phenylbutyl}-4-piperidinyl)carbamate [ACD/IUPAC Name]
Propyl-(cyclohexylmethyl)(1-{4-[methyl(phenylsulfonyl)amino]-3-phenylbutyl}-4-piperidinyl)carbamat [German] [ACD/IUPAC Name]

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

AIDS092741 [DBID]
AIDS-092741 [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: 689.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 371.0±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 166.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.27
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 483.99
ACD/KOC (pH 5.5): 510.83
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 22310.53
ACD/KOC (pH 7.4): 23547.56
Polar Surface Area: 79 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 495.9±5.0 cm3

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