ChemSpider 2D Image | 4-(4-benzyl-4-methoxypiperidin-1-yl)-N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide | C36H40N4O6S2

4-(4-benzyl-4-methoxypiperidin-1-yl)-N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide

  • Molecular FormulaC36H40N4O6S2
  • Average mass688.856 Da
  • Monoisotopic mass688.238953 Da
  • ChemSpider ID13122498

More details:

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

4-(4-Benzyl-4-methoxy-1-piperidinyl)-N-[(4-{[2-methyl-1-(phenylsulfanyl)-2-propanyl]amino}-3-nitrophenyl)sulfonyl]benzamid [German] [ACD/IUPAC Name]
4-(4-Benzyl-4-methoxy-1-piperidinyl)-N-[(4-{[2-methyl-1-(phenylsulfanyl)-2-propanyl]amino}-3-nitrophenyl)sulfonyl]benzamide [ACD/IUPAC Name]
4-(4-Benzyl-4-méthoxy-1-pipéridinyl)-N-[(4-{[2-méthyl-1-(phénylsulfanyl)-2-propanyl]amino}-3-nitrophényl)sulfonyl]benzamide [French] [ACD/IUPAC Name]
4-(4-benzyl-4-methoxypiperidin-1-yl)-N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide
Benzamide, N-[[4-[[1,1-dimethyl-2-(phenylthio)ethyl]amino]-3-nitrophenyl]sulfonyl]-4-[4-methoxy-4-(phenylmethyl)-1-piperidinyl]- [ACD/Index Name]

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: 1.667
Molar Refractivity: 190.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 8.20
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 27730.88
ACD/KOC (pH 5.5): 31632.74
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 2062.87
ACD/KOC (pH 7.4): 2353.13
Polar Surface Area: 167 Å2
Polarizability: 75.5±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 511.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement