ChemSpider 2D Image | 1-[(Ethylcarbamoyl)amino]-1-oxo-2-propanyl 4-(methylsulfonyl)-3-nitrobenzoate | C14H17N3O8S

1-[(Ethylcarbamoyl)amino]-1-oxo-2-propanyl 4-(methylsulfonyl)-3-nitrobenzoate

  • Molecular FormulaC14H17N3O8S
  • Average mass387.365 Da
  • Monoisotopic mass387.073639 Da
  • ChemSpider ID22323154

More details:

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

1-[(Ethylcarbamoyl)amino]-1-oxo-2-propanyl 4-(methylsulfonyl)-3-nitrobenzoate [ACD/IUPAC Name]
1-[(Ethylcarbamoyl)amino]-1-oxo-2-propanyl-4-(methylsulfonyl)-3-nitrobenzoat [German] [ACD/IUPAC Name]
4-(Méthylsulfonyl)-3-nitrobenzoate de 1-[(éthylcarbamoyl)amino]-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(methylsulfonyl)-3-nitro-, 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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.551
Molar Refractivity: 88.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.91
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 57.09
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 56.44
Polar Surface Area: 173 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 275.7±3.0 cm3

Click to predict properties on the Chemicalize site


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