ChemSpider 2D Image | 2-{3-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl}-8,9-dimethoxy-5-thioxo-5,6-dihydroimidazo[1,2-c]quinazolin-3(2H)-one | C27H29N5O6S

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

  • Molecular FormulaC27H29N5O6S
  • Average mass551.614 Da
  • Monoisotopic mass551.183838 Da
  • ChemSpider ID13130299

More details:

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

2-{3-[4-(1,3-Benzodioxol-5-ylmethyl)-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-(1,3-Benzodioxol-5-ylmethyl)-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-(1,3-Benzodioxol-5-ylméthyl)-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-(1,3-benzodioxol-5-ylmethyl)-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: 720.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.2±35.7 °C
Index of Refraction: 1.719
Molar Refractivity: 143.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 7.03
ACD/KOC (pH 5.5): 106.48
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.24
ACD/KOC (pH 7.4): 276.22
Polar Surface Area: 137 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 364.7±7.0 cm3

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