ChemSpider 2D Image | (1R,9R)-N-(3,5-Dimethoxyphenyl)-5-[(4-fluorobenzoyl)amino]-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide | C27H27FN4O5

(1R,9R)-N-(3,5-Dimethoxyphenyl)-5-[(4-fluorobenzoyl)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

  • Molecular FormulaC27H27FN4O5
  • Average mass506.526 Da
  • Monoisotopic mass506.196533 Da
  • ChemSpider ID5484479

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,9R)-N-(3,5-Dimethoxyphenyl)-5-[(4-fluorbenzoyl)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-carboxamid [German] [ACD/IUPAC Name]
(1R,9R)-N-(3,5-Dimethoxyphenyl)-5-[(4-fluorobenzoyl)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide [ACD/IUPAC Name]
(1R,9R)-N-(3,5-Diméthoxyphényl)-5-[(4-fluorobenzoyl)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-diène-11-carboxamide [French] [ACD/IUPAC Name]
1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide, N-(3,5-dimethoxyphenyl)-9-[(4-fluorobenzoyl)amino]-1,5,6,8-tetrahydro-8-oxo-, (1R,5R)- [ACD/Index Name]

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

ZINC04236210 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 849.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 467.8±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 133.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.93
ACD/KOC (pH 5.5): 357.78
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.92
ACD/KOC (pH 7.4): 357.58
Polar Surface Area: 100 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 359.3±5.0 cm3

Click to predict properties on the Chemicalize site


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