ChemSpider 2D Image | N-(2-Amino-2-oxoethyl)-4-({[4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoyl]amino}methyl)benzamide | C21H21N5O7

N-(2-Amino-2-oxoethyl)-4-({[4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoyl]amino}methyl)benzamide

  • Molecular FormulaC21H21N5O7
  • Average mass455.421 Da
  • Monoisotopic mass455.144104 Da
  • ChemSpider ID33563892

More details:

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

3(2H)-Benzoxazolebutanamide, N-[[4-[[(2-amino-2-oxoethyl)amino]carbonyl]phenyl]methyl]-6-nitro-2-oxo- [ACD/Index Name]
N-(2-Amino-2-oxoethyl)-4-({[4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoyl]amino}methyl)benzamid [German] [ACD/IUPAC Name]
N-(2-Amino-2-oxoethyl)-4-({[4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoyl]amino}methyl)benzamide [ACD/IUPAC Name]
N-(2-Amino-2-oxoéthyl)-4-({[4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoyl]amino}méthyl)benzamide [French] [ACD/IUPAC 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: 1.632
Molar Refractivity: 114.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.30
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.86
ACD/KOC (pH 5.5): 54.33
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.86
ACD/KOC (pH 7.4): 54.33
Polar Surface Area: 177 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 320.3±3.0 cm3

Click to predict properties on the Chemicalize site


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