ChemSpider 2D Image | 1-[(1H-Benzotriazol-1-ylacetyl)(4-methoxybenzyl)amino]-N-(2,4-dimethoxyphenyl)cyclohexanecarboxamide | C31H35N5O5

1-[(1H-Benzotriazol-1-ylacetyl)(4-methoxybenzyl)amino]-N-(2,4-dimethoxyphenyl)cyclohexanecarboxamide

  • Molecular FormulaC31H35N5O5
  • Average mass557.640 Da
  • Monoisotopic mass557.263794 Da
  • ChemSpider ID2593302

More details:

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

1-(2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(4-methoxybenzyl)acetamido)-N-(2,4-dimethoxyphenyl)cyclohexanecarboxamide
1-[(1H-Benzotriazol-1-ylacetyl)(4-methoxybenzyl)amino]-N-(2,4-dimethoxyphenyl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
1-[(1H-Benzotriazol-1-ylacetyl)(4-methoxybenzyl)amino]-N-(2,4-dimethoxyphenyl)cyclohexanecarboxamide [ACD/IUPAC Name]
1-{[2-(1H-Benzotriazol-1-yl)acétyl](4-méthoxybenzyl)amino}-N-(2,4-diméthoxyphényl)cyclohexanecarboxamide [French] [ACD/IUPAC Name]
1H-1,2,3-Benzotriazole-1-acetamide, N-[1-[[(2,4-dimethoxyphenyl)amino]carbonyl]cyclohexyl]-N-[(4-methoxyphenyl)methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 787.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 430.1±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 155.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1255.52
ACD/KOC (pH 5.5): 5749.45
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1256.64
ACD/KOC (pH 7.4): 5754.57
Polar Surface Area: 108 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 440.7±7.0 cm3

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