ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-{(1R)-1-(4-hydroxyphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}acetamide | C30H33N5O3

2-(1H-Benzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-{(1R)-1-(4-hydroxyphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}acetamide

  • Molecular FormulaC30H33N5O3
  • Average mass511.615 Da
  • Monoisotopic mass511.258331 Da
  • ChemSpider ID62673451

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-(2,3-dihydro-1H-inden-5-yl)-N-[(1R)-2-[(1,1-dimethylpropyl)amino]-1-(4-hydroxyphenyl)-2-oxoethyl]- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-{(1R)-1-(4-hydroxyphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-{(1R)-1-(4-hydroxyphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-(2,3-dihydro-1H-indén-5-yl)-N-{(1R)-1-(4-hydroxyphényl)-2-[(2-méthyl-2-butanyl)amino]-2-oxoéthyl}acétamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 785.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 428.8±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 147.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1047.91
ACD/KOC (pH 5.5): 5052.67
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1035.14
ACD/KOC (pH 7.4): 4991.11
Polar Surface Area: 100 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 402.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement