ChemSpider 2D Image | 2-[(Cyclopropylcarbamoyl)amino]-2-oxoethyl N-[(4-bromophenyl)sulfonyl]valinate | C17H22BrN3O6S

2-[(Cyclopropylcarbamoyl)amino]-2-oxoethyl N-[(4-bromophenyl)sulfonyl]valinate

  • Molecular FormulaC17H22BrN3O6S
  • Average mass476.342 Da
  • Monoisotopic mass475.041260 Da
  • ChemSpider ID127957061

More details:

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

2-[(Cyclopropylcarbamoyl)amino]-2-oxoethyl N-[(4-bromophenyl)sulfonyl]valinate [ACD/IUPAC Name]
2-[(Cyclopropylcarbamoyl)amino]-2-oxoethyl-N-[(4-bromphenyl)sulfonyl]valinat [German] [ACD/IUPAC Name]
N-[(4-Bromophényl)sulfonyl]valinate de 2-[(cyclopropylcarbamoyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
Valine, N-[(4-bromophenyl)sulfonyl]-, 2-[[(cyclopropylamino)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: 1.605
Molar Refractivity: 105.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.18
ACD/KOC (pH 5.5): 573.64
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 43.70
ACD/KOC (pH 7.4): 499.49
Polar Surface Area: 139 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 305.2±5.0 cm3

Click to predict properties on the Chemicalize site


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