ChemSpider 2D Image | N-(4-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-{2-[(2-methyl-2-butanyl)amino]-1-(1-methyl-1H-pyrrol-2-yl)-2-oxoethyl}acetamide | C28H32N6O3

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

  • Molecular FormulaC28H32N6O3
  • Average mass500.592 Da
  • Monoisotopic mass500.253601 Da
  • ChemSpider ID2449877

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-(1-methyl-1H-pyrrol-2-yl)-2-oxoethyl]- [ACD/Index Name]
N-(4-Acetylphenyl)-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-Acetylphenyl)-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-Acétylphényl)-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]

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

ASN 05297349 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 762.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 414.9±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 144.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 201.15
ACD/KOC (pH 5.5): 1550.49
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 201.16
ACD/KOC (pH 7.4): 1550.55
Polar Surface Area: 102 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 408.0±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement