ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-benzyl-N-[2-{[4-(dimethylamino)phenyl]amino}-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide | C34H36N6O5

2-(1H-Benzotriazol-1-yl)-N-benzyl-N-[2-{[4-(dimethylamino)phenyl]amino}-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide

  • Molecular FormulaC34H36N6O5
  • Average mass608.687 Da
  • Monoisotopic mass608.274719 Da
  • ChemSpider ID3549294

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[2-[[4-(dimethylamino)phenyl]amino]-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(phenylmethyl)- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-benzyl-N-[2-{[4-(dimethylamino)phenyl]amino}-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-benzyl-N-[2-{[4-(dimethylamino)phenyl]amino}-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-benzyl-N-[2-{[4-(diméthylamino)phényl]amino}-2-oxo-1-(3,4,5-triméthoxyphényl)éthyl]acétamide [French] [ACD/IUPAC Name]
2-(2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-benzylacetamido)-N-(4-(dimethylamino)phenyl)-2-(3,4,5-trimethoxyphenyl)acetamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 847.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 466.5±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 172.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 736.60
ACD/KOC (pH 5.5): 3053.10
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1753.10
ACD/KOC (pH 7.4): 7266.27
Polar Surface Area: 111 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 492.4±7.0 cm3

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