ChemSpider 2D Image | 3-[1-{2-[(4-Chloro-2-methoxy-5-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-N-(2-phenylethyl)propanamide | C29H29ClN4O5

3-[1-{2-[(4-Chloro-2-methoxy-5-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-N-(2-phenylethyl)propanamide

  • Molecular FormulaC29H29ClN4O5
  • Average mass549.017 Da
  • Monoisotopic mass548.182678 Da
  • ChemSpider ID22496840

More details:

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

3(2H)-Quinazolinepropanamide, 1-[2-[(4-chloro-2-methoxy-5-methylphenyl)amino]-2-oxoethyl]-1,4-dihydro-2,4-dioxo-N-(2-phenylethyl)- [ACD/Index Name]
3-[1-{2-[(4-Chlor-2-methoxy-5-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-chinazolinyl]-N-(2-phenylethyl)propanamid [German] [ACD/IUPAC Name]
3-[1-{2-[(4-Chloro-2-methoxy-5-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-N-(2-phenylethyl)propanamide [ACD/IUPAC Name]
3-[1-{2-[(4-Chloro-2-méthoxy-5-méthylphényl)amino]-2-oxoéthyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-N-(2-phényléthyl)propanamide [French] [ACD/IUPAC Name]

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: 1.627
Molar Refractivity: 147.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2000.68
ACD/KOC (pH 5.5): 8027.43
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2000.73
ACD/KOC (pH 7.4): 8027.62
Polar Surface Area: 108 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 415.9±3.0 cm3

Click to predict properties on the Chemicalize site


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