ChemSpider 2D Image | N-[2-(2,5-Dimethoxyphenyl)ethyl]-3-[4-(4-methylbenzyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide | C30H31N5O4

N-[2-(2,5-Dimethoxyphenyl)ethyl]-3-[4-(4-methylbenzyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide

  • Molecular FormulaC30H31N5O4
  • Average mass525.598 Da
  • Monoisotopic mass525.237610 Da
  • ChemSpider ID20284541

More details:

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

[1,2,4]Triazolo[4,3-a]quinazoline-1-propanamide, N-[2-(2,5-dimethoxyphenyl)ethyl]-4,5-dihydro-4-[(4-methylphenyl)methyl]-5-oxo- [ACD/Index Name]
N-[2-(2,5-Dimethoxyphenyl)ethyl]-3-[4-(4-methylbenzyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]chinazolin-1-yl]propanamid [German] [ACD/IUPAC Name]
N-[2-(2,5-Dimethoxyphenyl)ethyl]-3-[4-(4-methylbenzyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide [ACD/IUPAC Name]
N-[2-(2,5-Diméthoxyphényl)éthyl]-3-[4-(4-méthylbenzyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide [French] [ACD/IUPAC Name]
ZINC09831421

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: 1.642
Molar Refractivity: 149.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1019.22
ACD/KOC (pH 5.5): 4952.65
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1019.87
ACD/KOC (pH 7.4): 4955.80
Polar Surface Area: 99 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 412.9±7.0 cm3

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