ChemSpider 2D Image | 2-[(Cyclohexylcarbamoyl)amino]-2-oxoethyl 4-bromo-3-(methylsulfonyl)benzoate | C17H21BrN2O6S

2-[(Cyclohexylcarbamoyl)amino]-2-oxoethyl 4-bromo-3-(methylsulfonyl)benzoate

  • Molecular FormulaC17H21BrN2O6S
  • Average mass461.327 Da
  • Monoisotopic mass460.030365 Da
  • ChemSpider ID127076911

More details:

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

2-[(Cyclohexylcarbamoyl)amino]-2-oxoethyl 4-bromo-3-(methylsulfonyl)benzoate [ACD/IUPAC Name]
2-[(Cyclohexylcarbamoyl)amino]-2-oxoethyl-4-brom-3-(methylsulfonyl)benzoat [German] [ACD/IUPAC Name]
4-Bromo-3-(méthylsulfonyl)benzoate de 2-[(cyclohexylcarbamoyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-bromo-3-(methylsulfonyl)-, 2-[[(cyclohexylamino)carbonyl]amino]-2-oxoethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 101.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.53
ACD/KOC (pH 5.5): 402.16
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.00
ACD/KOC (pH 7.4): 395.13
Polar Surface Area: 127 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 296.0±5.0 cm3

Click to predict properties on the Chemicalize site


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