ChemSpider 2D Image | N-(4-Acetamidophenyl)-2-(1H-benzotriazol-1-yl)-N-{1-(4-chlorophenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}acetamide | C29H31ClN6O3

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

  • Molecular FormulaC29H31ClN6O3
  • Average mass547.048 Da
  • Monoisotopic mass546.214600 Da
  • ChemSpider ID2449854

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-[1-(4-chlorophenyl)-2-[(1,1-dimethylpropyl)amino]-2-oxoethyl]- [ACD/Index Name]
N-(4-Acetamidophenyl)-2-(1H-benzotriazol-1-yl)-N-{1-(4-chlorophenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}acetamide [ACD/IUPAC Name]
N-(4-Acétamidophényl)-2-(1H-benzotriazol-1-yl)-N-{1-(4-chlorophényl)-2-[(2-méthyl-2-butanyl)amino]-2-oxoéthyl}acétamide [French] [ACD/IUPAC Name]
N-(4-Acetamidophenyl)-2-(1H-benzotriazol-1-yl)-N-{1-(4-chlorphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}acetamid [German] [ACD/IUPAC Name]

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

ASN 05297279 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 823.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 452.1±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 153.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 429.20
ACD/KOC (pH 5.5): 2667.17
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 429.23
ACD/KOC (pH 7.4): 2667.35
Polar Surface Area: 109 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 428.1±7.0 cm3

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