ChemSpider 2D Image | N-(4-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-{1-(4-ethylphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}acetamide | C31H35N5O3

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

  • Molecular FormulaC31H35N5O3
  • Average mass525.641 Da
  • Monoisotopic mass525.273987 Da
  • ChemSpider ID2449994

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-(4-acetylphenyl)-N-[2-[(1,1-dimethylpropyl)amino]-1-(4-ethylphenyl)-2-oxoethyl]- [ACD/Index Name]
N-(4-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-{1-(4-ethylphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}acetamid [German] [ACD/IUPAC Name]
N-(4-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-{1-(4-ethylphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}acetamide [ACD/IUPAC Name]
N-(4-Acétylphényl)-2-(1H-benzotriazol-1-yl)-N-{1-(4-éthylphényl)-2-[(2-méthyl-2-butanyl)amino]-2-oxoéthyl}acétamide [French] [ACD/IUPAC Name]
ZINC13032418

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

ASN 05297571 [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: 765.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 416.9±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 154.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1216.16
ACD/KOC (pH 5.5): 5621.22
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1216.21
ACD/KOC (pH 7.4): 5621.45
Polar Surface Area: 97 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 445.4±7.0 cm3

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