ChemSpider 2D Image | 2-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-2-oxoethyl 2-{[(2-methyl-5-nitrophenyl)sulfonyl]amino}benzoate | C24H27N3O7S

2-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-2-oxoethyl 2-{[(2-methyl-5-nitrophenyl)sulfonyl]amino}benzoate

  • Molecular FormulaC24H27N3O7S
  • Average mass501.552 Da
  • Monoisotopic mass501.156982 Da
  • ChemSpider ID4020963

More details:

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

2-{[(2-Méthyl-5-nitrophényl)sulfonyl]amino}benzoate de 2-{[2-(1-cyclohexén-1-yl)éthyl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]
2-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-2-oxoethyl 2-{[(2-methyl-5-nitrophenyl)sulfonyl]amino}benzoate [ACD/IUPAC Name]
2-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-2-oxoethyl-2-{[(2-methyl-5-nitrophenyl)sulfonyl]amino}benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2-[[(2-methyl-5-nitrophenyl)sulfonyl]amino]-, 2-[[2-(1-cyclohexen-1-yl)ethyl]amino]-2-oxoethyl ester [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: 1.605
Molar Refractivity: 128.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5244.70
ACD/KOC (pH 5.5): 15895.28
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 1881.69
ACD/KOC (pH 7.4): 5702.91
Polar Surface Area: 156 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 373.8±3.0 cm3

Click to predict properties on the Chemicalize site


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