ChemSpider 2D Image | N-(1,3-Benzodioxol-5-yl)-1-[(1H-benzotriazol-1-ylacetyl)(2-methylbenzyl)amino]cyclohexanecarboxamide | C30H31N5O4

N-(1,3-Benzodioxol-5-yl)-1-[(1H-benzotriazol-1-ylacetyl)(2-methylbenzyl)amino]cyclohexanecarboxamide

  • Molecular FormulaC30H31N5O4
  • Average mass525.598 Da
  • Monoisotopic mass525.237610 Da
  • ChemSpider ID3783449

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-(2-methylbenzyl)acetamido)-N-(benzo[d][1,3]dioxol-5-yl)cyclohexanecarboxamide
1H-1,2,3-Benzotriazole-1-acetamide, N-[1-[(1,3-benzodioxol-5-ylamino)carbonyl]cyclohexyl]-N-[(2-methylphenyl)methyl]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-yl)-1-[(1H-benzotriazol-1-ylacetyl)(2-methylbenzyl)amino]cyclohexancarboxamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-1-[(1H-benzotriazol-1-ylacetyl)(2-methylbenzyl)amino]cyclohexanecarboxamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-1-{[2-(1H-benzotriazol-1-yl)acétyl](2-méthylbenzyl)amino}cyclohexanecarboxamide [French] [ACD/IUPAC 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: 779.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 425.3±32.9 °C
Index of Refraction: 1.677
Molar Refractivity: 147.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1018.07
ACD/KOC (pH 5.5): 4949.46
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1018.14
ACD/KOC (pH 7.4): 4949.81
Polar Surface Area: 99 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 391.4±7.0 cm3

Click to predict properties on the Chemicalize site


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