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

4-{[1-{2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]methyl}-N-(3-methoxypropyl)benzamide

  • Molecular FormulaC29H29ClN4O5
  • Average mass549.017 Da
  • Monoisotopic mass548.182678 Da
  • ChemSpider ID20243363

More details:

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

1(2H)-Quinazolineacetamide, N-(5-chloro-2-methylphenyl)-3,4-dihydro-3-[[4-[[(3-methoxypropyl)amino]carbonyl]phenyl]methyl]-2,4-dioxo- [ACD/Index Name]
4-{[1-{2-[(5-Chlor-2-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-chinazolinyl]methyl}-N-(3-methoxypropyl)benzamid [German] [ACD/IUPAC Name]
4-{[1-{2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]methyl}-N-(3-methoxypropyl)benzamide [ACD/IUPAC Name]
4-{[1-{2-[(5-Chloro-2-méthylphényl)amino]-2-oxoéthyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]méthyl}-N-(3-méthoxypropyl)benzamide [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: 1.636
Molar Refractivity: 147.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 824.93
ACD/KOC (pH 5.5): 4257.67
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 824.93
ACD/KOC (pH 7.4): 4257.69
Polar Surface Area: 108 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 412.7±3.0 cm3

Click to predict properties on the Chemicalize site


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