ChemSpider 2D Image | N-Cyclohexyl-2-(3-methylbenzyl)-4-(3-methylbutyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide | C29H35N5O3

N-Cyclohexyl-2-(3-methylbenzyl)-4-(3-methylbutyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

  • Molecular FormulaC29H35N5O3
  • Average mass501.620 Da
  • Monoisotopic mass501.273987 Da
  • ChemSpider ID29038636

More details:

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

[1,2,4]Triazolo[4,3-a]quinazoline-8-carboxamide, N-cyclohexyl-1,2,4,5-tetrahydro-4-(3-methylbutyl)-2-[(3-methylphenyl)methyl]-1,5-dioxo- [ACD/Index Name]
N-Cyclohexyl-2-(3-methylbenzyl)-4-(3-methylbutyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]chinazolin-8-carboxamid [German] [ACD/IUPAC Name]
N-Cyclohexyl-2-(3-methylbenzyl)-4-(3-methylbutyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide [ACD/IUPAC Name]
N-Cyclohexyl-2-(3-méthylbenzyl)-4-(3-méthylbutyl)-1,5-dioxo-1,2,4,5-tétrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide [French] [ACD/IUPAC Name]
1224009-12-4 [RN]
N-cyclohexyl-4-(3-methylbutyl)-2-[(3-methylphenyl)methyl]-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclohexyl-4-isopentyl-2-(3-methylbenzyl)-1,5-dioxo-1,2,4,5-tetrahydro-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

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: 1.663
Molar Refractivity: 143.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 663.09
ACD/KOC (pH 5.5): 3641.51
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 663.09
ACD/KOC (pH 7.4): 3641.51
Polar Surface Area: 85 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 387.3±7.0 cm3

Click to predict properties on the Chemicalize site


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