ChemSpider 2D Image | Methyl 4-[2-fluoro-5-(4-morpholinylsulfonyl)benzoyl]-1,4-diazepane-1-carboxylate | C18H24FN3O6S

Methyl 4-[2-fluoro-5-(4-morpholinylsulfonyl)benzoyl]-1,4-diazepane-1-carboxylate

  • Molecular FormulaC18H24FN3O6S
  • Average mass429.463 Da
  • Monoisotopic mass429.136993 Da
  • ChemSpider ID70210857

More details:

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

1H-1,4-Diazepine-1-carboxylic acid, 4-[2-fluoro-5-(4-morpholinylsulfonyl)benzoyl]hexahydro-, methyl ester [ACD/Index Name]
4-[2-Fluoro-5-(4-morpholinylsulfonyl)benzoyl]-1,4-diazépane-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-[2-fluoro-5-(4-morpholinylsulfonyl)benzoyl]-1,4-diazepane-1-carboxylate [ACD/IUPAC Name]
Methyl-4-[2-fluor-5-(4-morpholinylsulfonyl)benzoyl]-1,4-diazepan-1-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 618.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 328.1±34.3 °C
Index of Refraction: 1.572
Molar Refractivity: 102.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.64
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.94
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.94
Polar Surface Area: 105 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 311.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement