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

N-(2-Chlorobenzyl)-4-[1-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]butanamide

  • Molecular FormulaC29H29ClN4O5
  • Average mass549.017 Da
  • Monoisotopic mass548.182678 Da
  • ChemSpider ID20242928

More details:

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

3(2H)-Quinazolinebutanamide, N-[(2-chlorophenyl)methyl]-1-[2-[(4-ethoxyphenyl)amino]-2-oxoethyl]-1,4-dihydro-2,4-dioxo- [ACD/Index Name]
N-(2-Chlorbenzyl)-4-[1-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-chinazolinyl]butanamid [German] [ACD/IUPAC Name]
N-(2-Chlorobenzyl)-4-[1-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]butanamide [ACD/IUPAC Name]
N-(2-Chlorobenzyl)-4-[1-{2-[(4-éthoxyphényl)amino]-2-oxoéthyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]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: 1.626
Molar Refractivity: 147.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1157.26
ACD/KOC (pH 5.5): 5424.95
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1157.34
ACD/KOC (pH 7.4): 5425.29
Polar Surface Area: 108 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 416.1±3.0 cm3

Click to predict properties on the Chemicalize site


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