ChemSpider 2D Image | (1S,9R)-N-(4-Fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide | C18H18FN3O2

(1S,9R)-N-(4-Fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

  • Molecular FormulaC18H18FN3O2
  • Average mass327.353 Da
  • Monoisotopic mass327.138306 Da
  • ChemSpider ID23718076

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,9R)-N-(4-Fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide [ACD/IUPAC Name]
(1S,9R)-N-(4-Fluorophényl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-diène-11-carboxamide [French] [ACD/IUPAC Name]
(1S,9R)-N-(4-Fluorphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-carboxamid [German] [ACD/IUPAC Name]
1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide, N-(4-fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-, (1S,5R)- [ACD/Index Name]
1212223-26-1 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 625.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.1±31.5 °C
Index of Refraction: 1.660
Molar Refractivity: 87.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.30
ACD/KOC (pH 5.5): 114.88
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.30
ACD/KOC (pH 7.4): 114.87
Polar Surface Area: 53 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 237.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement