ChemSpider 2D Image | 1-[(Ethylcarbamoyl)amino]-1-oxo-2-propanyl 2-bromo-5-(1-pyrrolidinylsulfonyl)benzoate | C17H22BrN3O6S

1-[(Ethylcarbamoyl)amino]-1-oxo-2-propanyl 2-bromo-5-(1-pyrrolidinylsulfonyl)benzoate

  • Molecular FormulaC17H22BrN3O6S
  • Average mass476.342 Da
  • Monoisotopic mass475.041260 Da
  • ChemSpider ID128180715

More details:

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

1-[(Ethylcarbamoyl)amino]-1-oxo-2-propanyl 2-bromo-5-(1-pyrrolidinylsulfonyl)benzoate [ACD/IUPAC Name]
1-[(Ethylcarbamoyl)amino]-1-oxo-2-propanyl-2-brom-5-(1-pyrrolidinylsulfonyl)benzoat [German] [ACD/IUPAC Name]
2-Bromo-5-(1-pyrrolidinylsulfonyl)benzoate de 1-[(éthylcarbamoyl)amino]-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-bromo-5-(1-pyrrolidinylsulfonyl)-, 2-[[(ethylamino)carbonyl]amino]-1-methyl-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.582
Molar Refractivity: 105.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.92
ACD/KOC (pH 5.5): 667.09
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.24
ACD/KOC (pH 7.4): 659.80
Polar Surface Area: 130 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 315.9±3.0 cm3

Click to predict properties on the Chemicalize site


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