ChemSpider 2D Image | N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide | C30H36N4O5S2

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

  • Molecular FormulaC30H36N4O5S2
  • Average mass596.761 Da
  • Monoisotopic mass596.212708 Da
  • ChemSpider ID11604554

More details:

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

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

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: 1.654
Molar Refractivity: 163.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.11
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 1726.32
ACD/KOC (pH 5.5): 2551.73
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 777.21
ACD/KOC (pH 7.4): 1148.82
Polar Surface Area: 158 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 447.4±5.0 cm3

Click to predict properties on the Chemicalize site


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