ChemSpider 2D Image | N-Cyclohexyl-1-[(2,5-dimethylbenzyl)sulfanyl]-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide | C28H33N5O2S

N-Cyclohexyl-1-[(2,5-dimethylbenzyl)sulfanyl]-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

  • Molecular FormulaC28H33N5O2S
  • Average mass503.659 Da
  • Monoisotopic mass503.235504 Da
  • ChemSpider ID22976586

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-[[(2,5-dimethylphenyl)methyl]thio]-4,5-dihydro-5-oxo-4-propyl- [ACD/Index Name]
N-Cyclohexyl-1-[(2,5-dimethylbenzyl)sulfanyl]-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]chinazolin-8-carboxamid [German] [ACD/IUPAC Name]
N-Cyclohexyl-1-[(2,5-dimethylbenzyl)sulfanyl]-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide [ACD/IUPAC Name]
N-Cyclohexyl-1-[(2,5-diméthylbenzyl)sulfanyl]-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide [French] [ACD/IUPAC Name]
N-cyclohexyl-1-[(2,5-dimethylbenzyl)thio]-5-oxo-4-propyl-4,5-dihydro[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: 1.682
Molar Refractivity: 144.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 5.49
ACD/BCF (pH 5.5): 8782.79
ACD/KOC (pH 5.5): 23144.01
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 8783.01
ACD/KOC (pH 7.4): 23144.62
Polar Surface Area: 105 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 382.4±7.0 cm3

Click to predict properties on the Chemicalize site


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