ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-{1-(3-cyclohexen-1-yl)-2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl}-N-(4-methylbenzyl)acetamide | C32H35N5O4

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

  • Molecular FormulaC32H35N5O4
  • Average mass553.651 Da
  • Monoisotopic mass553.268921 Da
  • ChemSpider ID3757245

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[1-(3-cyclohexen-1-yl)-2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl]-N-[(4-methylphenyl)methyl]- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(3-cyclohexen-1-yl)-2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl}-N-(4-methylbenzyl)acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(3-cyclohexen-1-yl)-2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl}-N-(4-methylbenzyl)acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(3-cyclohexén-1-yl)-2-[(2,4-diméthoxyphényl)amino]-2-oxoéthyl}-N-(4-méthylbenzyl)acétamide [French] [ACD/IUPAC Name]
2-(1H-benzotriazol-1-yl)-N-{1-(cyclohex-3-en-1-yl)-2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl}-N-(4-methylbenzyl)acetamide
2-(2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(4-methylbenzyl)acetamido)-2-(cyclohex-3-enyl)-N-(2,4-dimethoxyphenyl)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: 775.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 423.0±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 158.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6702.63
ACD/KOC (pH 5.5): 19069.83
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6706.24
ACD/KOC (pH 7.4): 19080.09
Polar Surface Area: 99 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 444.9±7.0 cm3

Click to predict properties on the Chemicalize site


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