ChemSpider 2D Image | 7-(4-{[4-(2-Methoxyphenyl)-1-piperazinyl]carbonyl}benzyl)-6-thioxo-6,7-dihydro[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one | C28H26N4O5S

7-(4-{[4-(2-Methoxyphenyl)-1-piperazinyl]carbonyl}benzyl)-6-thioxo-6,7-dihydro[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one

  • Molecular FormulaC28H26N4O5S
  • Average mass530.595 Da
  • Monoisotopic mass530.162415 Da
  • ChemSpider ID13130619

More details:

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

1,3-Dioxolo[4,5-g]quinazolin-8(5H)-one, 6,7-dihydro-7-[[4-[[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl]phenyl]methyl]-6-thioxo- [ACD/Index Name]
7-(4-{[4-(2-Methoxyphenyl)-1-piperazinyl]carbonyl}benzyl)-6-thioxo-6,7-dihydro[1,3]dioxolo[4,5-g]chinazolin-8(5H)-on [German] [ACD/IUPAC Name]
7-(4-{[4-(2-Methoxyphenyl)-1-piperazinyl]carbonyl}benzyl)-6-thioxo-6,7-dihydro[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one [ACD/IUPAC Name]
7-(4-{[4-(2-Méthoxyphényl)-1-pipérazinyl]carbonyl}benzyl)-6-thioxo-6,7-dihydro[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one [French] [ACD/IUPAC Name]
7-(4-(4-(2-methoxyphenyl)piperazine-1-carbonyl)benzyl)-6-thioxo-6,7-dihydro-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-(4-{[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl}benzyl)-6-thioxo-6,7-dihydro[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 758.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 412.6±35.7 °C
Index of Refraction: 1.742
Molar Refractivity: 144.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.96
ACD/KOC (pH 5.5): 1038.35
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 115.09
ACD/KOC (pH 7.4): 1039.57
Polar Surface Area: 116 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 84.0±5.0 dyne/cm
Molar Volume: 356.7±5.0 cm3

Click to predict properties on the Chemicalize site


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