ChemSpider 2D Image | Benzyl ethyl[1-(3-{[methyl(phenylsulfonyl)amino]methyl}-3-phenylhexyl)-4-piperidinyl]carbamate | C35H47N3O4S

Benzyl ethyl[1-(3-{[methyl(phenylsulfonyl)amino]methyl}-3-phenylhexyl)-4-piperidinyl]carbamate

  • Molecular FormulaC35H47N3O4S
  • Average mass605.830 Da
  • Monoisotopic mass605.328735 Da
  • ChemSpider ID419762

More details:

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

Benzyl ethyl[1-(3-{[methyl(phenylsulfonyl)amino]methyl}-3-phenylhexyl)-4-piperidinyl]carbamate [ACD/IUPAC Name]
Benzyl-ethyl[1-(3-{[methyl(phenylsulfonyl)amino]methyl}-3-phenylhexyl)-4-piperidinyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-ethyl-N-[1-[3-[[methyl(phenylsulfonyl)amino]methyl]-3-phenylhexyl]-4-piperidinyl]-, phenylmethyl ester [ACD/Index Name]
Éthyl[1-(3-{[méthyl(phénylsulfonyl)amino]méthyl}-3-phénylhexyl)-4-pipéridinyl]carbamate de benzyle [French] [ACD/IUPAC Name]
(1-{3-[(Benzenesulfonyl-methyl-amino)-methyl]-3-phenyl-hexyl}-piperidin-4-yl)-ethyl-carbamic acid, benzyl ester

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

AIDS092632 [DBID]
AIDS-092632 [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: 711.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 384.0±35.7 °C
Index of Refraction: 1.606
Molar Refractivity: 175.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.40
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 547.48
ACD/KOC (pH 5.5): 556.06
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 25116.42
ACD/KOC (pH 7.4): 25509.98
Polar Surface Area: 79 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 507.8±5.0 cm3

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