ChemSpider 2D Image | (1R,9S)-11-(4-Chlorobenzoyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one | C18H17ClN2O2

(1R,9S)-11-(4-Chlorobenzoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

  • Molecular FormulaC18H17ClN2O2
  • Average mass328.793 Da
  • Monoisotopic mass328.097870 Da
  • ChemSpider ID28466289

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1r,5s)-3-(4-Chlorobenzoyl)-1,2,3,4,5,6-Hexahydro-8h-1,5-Methanopyrido[1,2-A][1,5]diazocin-8-One
(1R,5S)-3-(4-Chlorobenzoyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
(1R,9S)-11-(4-Chlorbenzoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-on [German] [ACD/IUPAC Name]
(1R,9S)-11-(4-Chlorobenzoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one [ACD/IUPAC Name]
(1R,9S)-11-(4-Chlorobenzoyl)-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-6-one [French] [ACD/IUPAC Name]
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-, (1R,5S)- [ACD/Index Name]
0SJ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 591.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.5±30.1 °C
Index of Refraction: 1.674
Molar Refractivity: 88.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.52
ACD/KOC (pH 5.5): 224.46
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.52
ACD/KOC (pH 7.4): 224.46
Polar Surface Area: 41 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 235.9±5.0 cm3

Click to predict properties on the Chemicalize site


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