ChemSpider 2D Image | N-(4-Acetamidophenyl)-2-(1H-benzotriazol-1-yl)-N-{2-[(2-methyl-2-butanyl)amino]-1-(1-methyl-1H-pyrrol-2-yl)-2-oxoethyl}acetamide | C28H33N7O3

N-(4-Acetamidophenyl)-2-(1H-benzotriazol-1-yl)-N-{2-[(2-methyl-2-butanyl)amino]-1-(1-methyl-1H-pyrrol-2-yl)-2-oxoethyl}acetamide

  • Molecular FormulaC28H33N7O3
  • Average mass515.607 Da
  • Monoisotopic mass515.264465 Da
  • ChemSpider ID2449868

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[4-(acetylamino)phenyl]-N-[2-[(1,1-dimethylpropyl)amino]-1-(1-methyl-1H-pyrrol-2-yl)-2-oxoethyl]- [ACD/Index Name]
N-(4-Acetamidophenyl)-2-(1H-benzotriazol-1-yl)-N-{2-[(2-methyl-2-butanyl)amino]-1-(1-methyl-1H-pyrrol-2-yl)-2-oxoethyl}acetamid [German] [ACD/IUPAC Name]
N-(4-Acetamidophenyl)-2-(1H-benzotriazol-1-yl)-N-{2-[(2-methyl-2-butanyl)amino]-1-(1-methyl-1H-pyrrol-2-yl)-2-oxoethyl}acetamide [ACD/IUPAC Name]
N-(4-Acétamidophényl)-2-(1H-benzotriazol-1-yl)-N-{2-[(2-méthyl-2-butanyl)amino]-1-(1-méthyl-1H-pyrrol-2-yl)-2-oxoéthyl}acétamide [French] [ACD/IUPAC Name]
2-(4-acetamido-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-amyl-2-(1-methylpyrrol-2-yl)acetamide
CID 3198732

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

ASN 05297333 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 815.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 447.1±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 147.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.35
ACD/KOC (pH 5.5): 782.28
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.36
ACD/KOC (pH 7.4): 782.33
Polar Surface Area: 114 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 412.7±7.0 cm3

Click to predict properties on the Chemicalize site


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