ChemSpider 2D Image | N-Isobutyl-1-{cis-4-[(2,3,4-trimethoxybenzoyl)amino]cyclohexyl}-1H-1,2,3-triazole-4-carboxamide | C23H33N5O5

N-Isobutyl-1-{cis-4-[(2,3,4-trimethoxybenzoyl)amino]cyclohexyl}-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC23H33N5O5
  • Average mass459.539 Da
  • Monoisotopic mass459.248169 Da
  • ChemSpider ID23066260

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-1,2,3-Triazole-4-carboxamide, N-(2-methylpropyl)-1-[cis-4-[(2,3,4-trimethoxybenzoyl)amino]cyclohexyl]- [ACD/Index Name]
N-Isobutyl-1-{cis-4-[(2,3,4-trimethoxybenzoyl)amino]cyclohexyl}-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
N-Isobutyl-1-{cis-4-[(2,3,4-trimethoxybenzoyl)amino]cyclohexyl}-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
N-Isobutyl-1-{cis-4-[(2,3,4-triméthoxybenzoyl)amino]cyclohexyl}-1H-1,2,3-triazole-4-carboxamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.601
Molar Refractivity: 122.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.91
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.52
ACD/KOC (pH 5.5): 118.29
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.52
ACD/KOC (pH 7.4): 118.29
Polar Surface Area: 117 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 356.3±7.0 cm3

Click to predict properties on the Chemicalize site


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