ChemSpider 2D Image | 2-{3-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-3-oxopropyl}-8,9-dimethoxy-5-thioxo-5,6-dihydroimidazo[1,2-c]quinazolin-3(2H)-one | C26H28ClN5O4S

2-{3-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-3-oxopropyl}-8,9-dimethoxy-5-thioxo-5,6-dihydroimidazo[1,2-c]quinazolin-3(2H)-one

  • Molecular FormulaC26H28ClN5O4S
  • Average mass542.050 Da
  • Monoisotopic mass541.155029 Da
  • ChemSpider ID21903839

More details:

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

2-{3-[4-(5-Chlor-2-methylphenyl)-1-piperazinyl]-3-oxopropyl}-8,9-dimethoxy-5-thioxo-5,6-dihydroimidazo[1,2-c]chinazolin-3(2H)-on [German] [ACD/IUPAC Name]
2-{3-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-3-oxopropyl}-8,9-dimethoxy-5-thioxo-5,6-dihydroimidazo[1,2-c]quinazolin-3(2H)-one [ACD/IUPAC Name]
2-{3-[4-(5-Chloro-2-méthylphényl)-1-pipérazinyl]-3-oxopropyl}-8,9-diméthoxy-5-thioxo-5,6-dihydroimidazo[1,2-c]quinazolin-3(2H)-one [French] [ACD/IUPAC Name]
Imidazo[1,2-c]quinazolin-3(2H)-one, 2-[3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-oxopropyl]-5,6-dihydro-8,9-dimethoxy-5-thioxo- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 732.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 396.7±35.7 °C
Index of Refraction: 1.696
Molar Refractivity: 143.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 168.16
ACD/KOC (pH 5.5): 1363.61
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 167.55
ACD/KOC (pH 7.4): 1358.70
Polar Surface Area: 119 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 372.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement