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

N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[5-oxo-4-(2-phenylethyl)-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 ID20284679

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-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-5-oxo-4-(2-phenylethyl)- [ACD/Index Name]
N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]chinazolin-1-yl]propanamid [German] [ACD/IUPAC Name]
N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide [ACD/IUPAC Name]
N-[2-(3,4-Diméthoxyphényl)éthyl]-3-[5-oxo-4-(2-phényléthyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide [French] [ACD/IUPAC Name]
ZINC09831551

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: 1.641
Molar Refractivity: 149.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 348.21
ACD/KOC (pH 5.5): 2296.00
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 348.46
ACD/KOC (pH 7.4): 2297.61
Polar Surface Area: 99 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 413.7±7.0 cm3

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