ChemSpider 2D Image | N-(2-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-{1-(4-hydroxyphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}acetamide | C29H31N5O4

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

  • Molecular FormulaC29H31N5O4
  • Average mass513.588 Da
  • Monoisotopic mass513.237610 Da
  • ChemSpider ID2449969

More details:

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

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

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

ASN 05297498 [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: 789.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 431.4±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 146.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 134.20
ACD/KOC (pH 5.5): 1160.47
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.20
ACD/KOC (pH 7.4): 1151.84
Polar Surface Area: 117 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 411.4±7.0 cm3

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