ChemSpider 2D Image | 4-[1-{2-[(5-Chloro-2-methoxyphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-N-(4-methylbenzyl)butanamide | C29H29ClN4O5

4-[1-{2-[(5-Chloro-2-methoxyphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-N-(4-methylbenzyl)butanamide

  • Molecular FormulaC29H29ClN4O5
  • Average mass549.017 Da
  • Monoisotopic mass548.182678 Da
  • ChemSpider ID20243187

More details:

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

3(2H)-Quinazolinebutanamide, 1-[2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl]-1,4-dihydro-N-[(4-methylphenyl)methyl]-2,4-dioxo- [ACD/Index Name]
4-[1-{2-[(5-Chlor-2-methoxyphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-chinazolinyl]-N-(4-methylbenzyl)butanamid [German] [ACD/IUPAC Name]
4-[1-{2-[(5-Chloro-2-methoxyphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-N-(4-methylbenzyl)butanamide [ACD/IUPAC Name]
4-[1-{2-[(5-Chloro-2-méthoxyphényl)amino]-2-oxoéthyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-N-(4-méthylbenzyl)butanamide [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: 1
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1222.78
ACD/KOC (pH 5.5): 5643.14
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1222.78
ACD/KOC (pH 7.4): 5643.12
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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