ChemSpider 2D Image | 3-[4-(2-Chlorobenzyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-{2-[(2-furylmethyl)(isopropyl)amino]ethyl}propanamide | C29H31ClN6O3

3-[4-(2-Chlorobenzyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-{2-[(2-furylmethyl)(isopropyl)amino]ethyl}propanamide

  • Molecular FormulaC29H31ClN6O3
  • Average mass547.048 Da
  • Monoisotopic mass546.214600 Da
  • ChemSpider ID20284669

More details:

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

[1,2,4]Triazolo[4,3-a]quinazoline-1-propanamide, 4-[(2-chlorophenyl)methyl]-N-[2-[(2-furanylmethyl)(1-methylethyl)amino]ethyl]-4,5-dihydro-5-oxo- [ACD/Index Name]
3-[4-(2-Chlorbenzyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]chinazolin-1-yl]-N-{2-[(2-furylmethyl)(isopropyl)amino]ethyl}propanamid [German] [ACD/IUPAC Name]
3-[4-(2-Chlorobenzyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-{2-[(2-furylmethyl)(isopropyl)amino]ethyl}propanamide [ACD/IUPAC Name]
3-[4-(2-Chlorobenzyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-{2-[(2-furylméthyl)(isopropyl)amino]éthyl}propanamide [French] [ACD/IUPAC Name]
3-{4-[(2-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(2-{[(furan-2-yl)methyl](propan-2-yl)amino}ethyl)propanamide
902965-92-8 [RN]
MFCD14790914

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: 1.660
Molar Refractivity: 151.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 1.91
ACD/KOC (pH 5.5): 9.62
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 86.82
ACD/KOC (pH 7.4): 438.18
Polar Surface Area: 97 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 411.3±7.0 cm3

Click to predict properties on the Chemicalize site


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