ChemSpider 2D Image | N-{3-[(1S,4S,6S)-2-Amino-4-methyl-3-azabicyclo[4.1.0]hept-2-en-4-yl]-4-fluorophenyl}-5-chloro-2-pyridinecarboxamide | C19H18ClFN4O

N-{3-[(1S,4S,6S)-2-Amino-4-methyl-3-azabicyclo[4.1.0]hept-2-en-4-yl]-4-fluorophenyl}-5-chloro-2-pyridinecarboxamide

  • Molecular FormulaC19H18ClFN4O
  • Average mass372.824 Da
  • Monoisotopic mass372.115326 Da
  • ChemSpider ID30831547

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Pyridinecarboxamide, N-[3-[(1S,4S,6S)-2-amino-4-methyl-3-azabicyclo[4.1.0]hept-2-en-4-yl]-4-fluorophenyl]-5-chloro- [ACD/Index Name]
N-[3-[(1s,3s,6s)-5-Azanyl-3-Methyl-4-Azabicyclo[4.1.0]hept-4-En-3-Yl]-4-Fluoranyl-Phenyl]-5-Chloranyl-Pyridine-2-Carboxamide
N-{3-[(1S,4S,6S)-2-Amino-4-methyl-3-azabicyclo[4.1.0]hept-2-en-4-yl]-4-fluorophenyl}-5-chloro-2-pyridinecarboxamide [ACD/IUPAC Name]
N-{3-[(1S,4S,6S)-2-Amino-4-méthyl-3-azabicyclo[4.1.0]hept-2-én-4-yl]-4-fluorophényl}-5-chloro-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
N-{3-[(1S,4S,6S)-2-Amino-4-methyl-3-azabicyclo[4.1.0]hept-2-en-4-yl]-4-fluorphenyl}-5-chlor-2-pyridincarboxamid [German] [ACD/IUPAC Name]
8T3

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: 1.703
Molar Refractivity: 96.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.34
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 7.58
ACD/KOC (pH 7.4): 120.81
Polar Surface Area: 80 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 249.2±7.0 cm3

Click to predict properties on the Chemicalize site


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