ChemSpider 2D Image | 3-(2-Chloro-6-fluorophenyl)-5-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,2-oxazole-4-carboxamide | C19H19ClFN5O2

3-(2-Chloro-6-fluorophenyl)-5-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,2-oxazole-4-carboxamide

  • Molecular FormulaC19H19ClFN5O2
  • Average mass403.838 Da
  • Monoisotopic mass403.121124 Da
  • ChemSpider ID21950676

More details:

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

3-(2-Chlor-6-fluorphenyl)-5-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,2-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
3-(2-Chloro-6-fluorophenyl)-5-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,2-oxazole-4-carboxamide [ACD/IUPAC Name]
3-(2-Chloro-6-fluorophényl)-5-méthyl-N-(6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépin-3-ylméthyl)-1,2-oxazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Isoxazolecarboxamide, 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.688
Molar Refractivity: 102.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.63
ACD/KOC (pH 5.5): 303.46
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.69
ACD/KOC (pH 7.4): 304.41
Polar Surface Area: 86 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 269.0±7.0 cm3

Click to predict properties on the Chemicalize site


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