ChemSpider 2D Image | 10-(3-{[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]carbonyl}phenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one | C30H31ClN4O4

10-(3-{[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]carbonyl}phenyl)-6-methoxy-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 ID13126026

More details:

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

10-(3-{[4-(5-Chlor-2-methylphenyl)-1-piperazinyl]carbonyl}phenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-on [German] [ACD/IUPAC Name]
10-(3-{[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]carbonyl}phenyl)-6-methoxy-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-(5-Chloro-2-méthylphényl)-1-pipérazinyl]carbonyl}phényl)-6-méthoxy-9-méthyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-11-one [French] [ACD/IUPAC Name]
2,6-Methano-4H-1,3,5-benzoxadiazocin-4-one, 3-[3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonyl]phenyl]-2,3,5,6-tetrahydro-10-methoxy-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: 776.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 423.7±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 148.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 467.67
ACD/KOC (pH 5.5): 2836.06
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 467.76
ACD/KOC (pH 7.4): 2836.63
Polar Surface Area: 74 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 416.6±3.0 cm3

Click to predict properties on the Chemicalize site


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