ChemSpider 2D Image | 10-(3-{[4-(3-Chlorophenyl)-1-piperazinyl]carbonyl}phenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one | C30H31ClN4O4

10-(3-{[4-(3-Chlorophenyl)-1-piperazinyl]carbonyl}phenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one

  • Molecular FormulaC30H31ClN4O4
  • Average mass547.044 Da
  • Monoisotopic mass546.203369 Da
  • ChemSpider ID13131704

More details:

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

10-(3-{[4-(3-Chlorophenyl)-1-piperazinyl]carbonyl}phenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one [ACD/IUPAC Name]
10-(3-{[4-(3-Chlorophényl)-1-pipérazinyl]carbonyl}phényl)-6-éthoxy-9-méthyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-11-one [French] [ACD/IUPAC Name]
10-(3-{[4-(3-Chlorphenyl)-1-piperazinyl]carbonyl}phenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-on [German] [ACD/IUPAC Name]
2,6-Methano-4H-1,3,5-benzoxadiazocin-4-one, 3-[3-[[4-(3-chlorophenyl)-1-piperazinyl]carbonyl]phenyl]-10-ethoxy-2,3,5,6-tetrahydro-2-methyl- [ACD/Index 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: 776.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 423.5±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 148.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 705.40
ACD/KOC (pH 5.5): 3806.15
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 705.53
ACD/KOC (pH 7.4): 3806.86
Polar Surface Area: 74 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 416.9±3.0 cm3

Click to predict properties on the Chemicalize site


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