ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[1-(3,4-dimethoxyphenyl)-2-{[4-(dimethylamino)phenyl]amino}-2-oxoethyl]-N-(4-methoxybenzyl)acetamide | C34H36N6O5

2-(1H-Benzotriazol-1-yl)-N-[1-(3,4-dimethoxyphenyl)-2-{[4-(dimethylamino)phenyl]amino}-2-oxoethyl]-N-(4-methoxybenzyl)acetamide

  • Molecular FormulaC34H36N6O5
  • Average mass608.687 Da
  • Monoisotopic mass608.274719 Da
  • ChemSpider ID4408964

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[1-(3,4-dimethoxyphenyl)-2-[[4-(dimethylamino)phenyl]amino]-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-[1-(3,4-dimethoxyphenyl)-2-{[4-(dimethylamino)phenyl]amino}-2-oxoethyl]-N-(4-methoxybenzyl)acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[1-(3,4-dimethoxyphenyl)-2-{[4-(dimethylamino)phenyl]amino}-2-oxoethyl]-N-(4-methoxybenzyl)acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[1-(3,4-diméthoxyphényl)-2-{[4-(diméthylamino)phényl]amino}-2-oxoéthyl]-N-(4-méthoxybenzyl)acétamide [French] [ACD/IUPAC Name]
2-(2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(4-methoxybenzyl)acetamido)-2-(3,4-dimethoxyphenyl)-N-(4-(dimethylamino)phenyl)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: 855.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 470.9±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: 5.47
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 688.10
ACD/KOC (pH 5.5): 2893.60
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1665.28
ACD/KOC (pH 7.4): 7002.81
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

Click to predict properties on the Chemicalize site


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