ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-(2-methoxy-5-methylphenyl)-N-{2-[(3-methylbutyl)amino]-2-oxo-1-(3-pyridinyl)ethyl}acetamide | C28H32N6O3

2-(1H-Benzotriazol-1-yl)-N-(2-methoxy-5-methylphenyl)-N-{2-[(3-methylbutyl)amino]-2-oxo-1-(3-pyridinyl)ethyl}acetamide

  • Molecular FormulaC28H32N6O3
  • Average mass500.592 Da
  • Monoisotopic mass500.253601 Da
  • ChemSpider ID2449665

More details:






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

1H-1,2,3-Benzotriazole-1-acetamide, N-(2-methoxy-5-methylphenyl)-N-[2-[(3-methylbutyl)amino]-2-oxo-1-(3-pyridinyl)ethyl]- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-(2-methoxy-5-methylphenyl)-N-{2-[(3-methylbutyl)amino]-2-oxo-1-(3-pyridinyl)ethyl}acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-(2-methoxy-5-methylphenyl)-N-{2-[(3-methylbutyl)amino]-2-oxo-1-(3-pyridinyl)ethyl}acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-(2-méthoxy-5-méthylphényl)-N-{2-[(3-méthylbutyl)amino]-2-oxo-1-(3-pyridinyl)éthyl}acétamide [French] [ACD/IUPAC Name]

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

ASN 05296691 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 767.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.9±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 143.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.62
ACD/KOC (pH 5.5): 1482.47
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 191.33
ACD/KOC (pH 7.4): 1495.85
Polar Surface Area: 102 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 406.7±7.0 cm3

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