ChemSpider 2D Image | 3-(4-{[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]carbonyl}benzyl)-6,7-dimethoxy-2,4(1H,3H)-quinazolinedione | C29H29ClN4O5

3-(4-{[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]carbonyl}benzyl)-6,7-dimethoxy-2,4(1H,3H)-quinazolinedione

  • Molecular FormulaC29H29ClN4O5
  • Average mass549.017 Da
  • Monoisotopic mass548.182678 Da
  • ChemSpider ID13119538

More details:

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

2,4(1H,3H)-Quinazolinedione, 3-[[4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonyl]phenyl]methyl]-6,7-dimethoxy- [ACD/Index Name]
3-(4-{[4-(5-Chlor-2-methylphenyl)-1-piperazinyl]carbonyl}benzyl)-6,7-dimethoxy-2,4(1H,3H)-chinazolindion [German] [ACD/IUPAC Name]
3-(4-{[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]carbonyl}benzyl)-6,7-dimethoxy-2,4(1H,3H)-quinazolinedione [ACD/IUPAC Name]
3-(4-{[4-(5-Chloro-2-méthylphényl)-1-pipérazinyl]carbonyl}benzyl)-6,7-diméthoxy-2,4(1H,3H)-quinazolinedione [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: 1.632
Molar Refractivity: 146.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 542.94
ACD/KOC (pH 5.5): 3155.62
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 543.13
ACD/KOC (pH 7.4): 3156.71
Polar Surface Area: 91 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 411.2±3.0 cm3

Click to predict properties on the Chemicalize site


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