ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3-pyridinylmethyl)acetamide | C30H28N6O3

2-(1H-Benzotriazol-1-yl)-N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3-pyridinylmethyl)acetamide

  • Molecular FormulaC30H28N6O3
  • Average mass520.582 Da
  • Monoisotopic mass520.222290 Da
  • ChemSpider ID2439761

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[1-(4-methoxyphenyl)-2-oxo-2-[(phenylmethyl)amino]ethyl]-N-(3-pyridinylmethyl)- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3-pyridinylmethyl)acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3-pyridinylmethyl)acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(benzylamino)-1-(4-méthoxyphényl)-2-oxoéthyl]-N-(3-pyridinylméthyl)acétamide [French] [ACD/IUPAC Name]

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

BAS 04449599 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 825.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 452.8±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 151.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 216.12
ACD/KOC (pH 5.5): 1608.83
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 227.23
ACD/KOC (pH 7.4): 1691.57
Polar Surface Area: 102 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 412.8±7.0 cm3

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