ChemSpider 2D Image | 11-(2-Amino-4-{[4-(3-chlorophenyl)-1-piperazinyl]carbonyl}phenyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one | C28H30ClN5O2

11-(2-Amino-4-{[4-(3-chlorophenyl)-1-piperazinyl]carbonyl}phenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

  • Molecular FormulaC28H30ClN5O2
  • Average mass504.023 Da
  • Monoisotopic mass503.208801 Da
  • ChemSpider ID2842720

More details:

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

1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-[2-amino-4-[[4-(3-chlorophenyl)-1-piperazinyl]carbonyl]phenyl]-1,2,3,4,5,6-hexahydro- [ACD/Index Name]
11-(2-Amino-4-{[4-(3-chlorophenyl)-1-piperazinyl]carbonyl}phenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one [ACD/IUPAC Name]
11-(2-Amino-4-{[4-(3-chlorophényl)-1-pipérazinyl]carbonyl}phényl)-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-6-one [French] [ACD/IUPAC Name]
11-(2-Amino-4-{[4-(3-chlorphenyl)-1-piperazinyl]carbonyl}phenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-on [German] [ACD/IUPAC Name]
3-(2-amino-4-{[4-(3-chlorophenyl)piperazin-1-yl]carbonyl}phenyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 815.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 447.0±34.3 °C
Index of Refraction: 1.725
Molar Refractivity: 141.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 12.48
ACD/KOC (pH 5.5): 136.43
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.10
ACD/KOC (pH 7.4): 613.52
Polar Surface Area: 73 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 75.3±5.0 dyne/cm
Molar Volume: 355.5±5.0 cm3

Click to predict properties on the Chemicalize site


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