ChemSpider 2D Image | 7-Ethynyl-5-(2-fluorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C18H13FN2O

7-Ethynyl-5-(2-fluorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC18H13FN2O
  • Average mass292.307 Da
  • Monoisotopic mass292.101196 Da
  • ChemSpider ID88296335

More details:






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

2H-1,4-Benzodiazepin-2-one, 7-ethynyl-5-(2-fluorophenyl)-1,3-dihydro-1-methyl- [ACD/Index Name]
7-Ethinyl-5-(2-fluorphenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
7-Ethynyl-5-(2-fluorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
7-Éthynyl-5-(2-fluorophényl)-1-méthyl-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
KRM-II-08

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 498.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 255.4±28.7 °C
Index of Refraction: 1.595
Molar Refractivity: 85.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.63
ACD/KOC (pH 5.5): 458.15
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.65
ACD/KOC (pH 7.4): 458.29
Polar Surface Area: 33 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 39.7±7.0 dyne/cm
Molar Volume: 250.8±7.0 cm3

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