ChemSpider 2D Image | 4-Chloro-10-{3-[(4-cyclohexyl-1-piperazinyl)carbonyl]phenyl}-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one | C28H33ClN4O3

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

  • Molecular FormulaC28H33ClN4O3
  • Average mass509.040 Da
  • Monoisotopic mass508.224121 Da
  • ChemSpider ID20250854

More details:

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

2,6-Methano-4H-1,3,5-benzoxadiazocin-4-one, 8-chloro-3-[3-[(4-cyclohexyl-1-piperazinyl)carbonyl]phenyl]-2,3,5,6-tetrahydro-2-methyl- [ACD/Index Name]
4-Chlor-10-{3-[(4-cyclohexyl-1-piperazinyl)carbonyl]phenyl}-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-on [German] [ACD/IUPAC Name]
4-Chloro-10-{3-[(4-cyclohexyl-1-piperazinyl)carbonyl]phenyl}-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one [ACD/IUPAC Name]
4-Chloro-10-{3-[(4-cyclohexyl-1-pipérazinyl)carbonyl]phényl}-9-méthyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-11-one [French] [ACD/IUPAC 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: 714.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.6±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 138.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 6.07
ACD/KOC (pH 5.5): 41.55
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 185.83
ACD/KOC (pH 7.4): 1271.32
Polar Surface Area: 65 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 392.3±3.0 cm3

Click to predict properties on the Chemicalize site


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