ChemSpider 2D Image | 5-Methyl-3-[(4-phenyl-1-piperazinyl)carbonyl]-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one | C25H30N4O2

5-Methyl-3-[(4-phenyl-1-piperazinyl)carbonyl]-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one

  • Molecular FormulaC25H30N4O2
  • Average mass418.531 Da
  • Monoisotopic mass418.236877 Da
  • ChemSpider ID34982737

More details:

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

5-Methyl-3-[(4-phenyl-1-piperazinyl)carbonyl]-5a,6,7,8,9,10-hexahydroazepino[2,1-b]chinazolin-12(5H)-on [German] [ACD/IUPAC Name]
5-Methyl-3-[(4-phenyl-1-piperazinyl)carbonyl]-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one [ACD/IUPAC Name]
5-Méthyl-3-[(4-phényl-1-pipérazinyl)carbonyl]-5a,6,7,8,9,10-hexahydroazépino[2,1-b]quinazolin-12(5H)-one [French] [ACD/IUPAC Name]
Azepino[2,1-b]quinazolin-12(5H)-one, 5a,6,7,8,9,10-hexahydro-5-methyl-3-[(4-phenyl-1-piperazinyl)carbonyl]- [ACD/Index Name]
[1775360-23-0] [RN]
1775360-23-0 [RN]
5-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H,5aH,6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one
5-methyl-3-[(4-phenylpiperazin-1-yl)carbonyl]-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
5-methyl-3-[(4-phenylpiperazino)carbonyl]-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
BS-7978
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 665.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 304.2±23.9 °C
Index of Refraction: 1.670
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.04
ACD/KOC (pH 5.5): 318.22
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.09
ACD/KOC (pH 7.4): 318.99
Polar Surface Area: 47 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 324.6±5.0 cm3

Click to predict properties on the Chemicalize site


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