ChemSpider 2D Image | 4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide | C40H41N5O5S2

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

  • Molecular FormulaC40H41N5O5S2
  • Average mass735.914 Da
  • Monoisotopic mass735.254883 Da
  • ChemSpider ID13122499

More details:






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

4-[4-(2-Biphenylylmethyl)-1-piperazinyl]-N-[(4-{[2-methyl-1-(phenylsulfanyl)-2-propanyl]amino}-3-nitrophenyl)sulfonyl]benzamid [German] [ACD/IUPAC Name]
4-[4-(2-Biphenylylmethyl)-1-piperazinyl]-N-[(4-{[2-methyl-1-(phenylsulfanyl)-2-propanyl]amino}-3-nitrophenyl)sulfonyl]benzamide [ACD/IUPAC Name]
4-[4-(2-Biphénylylméthyl)-1-pipérazinyl]-N-[(4-{[2-méthyl-1-(phénylsulfanyl)-2-propanyl]amino}-3-nitrophényl)sulfonyl]benzamide [French] [ACD/IUPAC Name]
4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide
Benzamide, 4-[4-([1,1'-biphenyl]-2-ylmethyl)-1-piperazinyl]-N-[[4-[[1,1-dimethyl-2-(phenylthio)ethyl]amino]-3-nitrophenyl]sulfonyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.702
Molar Refractivity: 207.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 9.15
ACD/LogD (pH 5.5): 6.72
ACD/BCF (pH 5.5): 38286.36
ACD/KOC (pH 5.5): 29599.73
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 8107.75
ACD/KOC (pH 7.4): 6268.22
Polar Surface Area: 161 Å2
Polarizability: 82.4±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 536.5±5.0 cm3

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