ChemSpider 2D Image | N-{3-[(4S,6S)-2-Amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-(difluoromethyl)-2-pyridinecarboxamide | C19H15F7N4O2

N-{3-[(4S,6S)-2-Amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-(difluoromethyl)-2-pyridinecarboxamide

  • Molecular FormulaC19H15F7N4O2
  • Average mass464.337 Da
  • Monoisotopic mass464.108337 Da
  • ChemSpider ID76779026

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyridinecarboxamide, N-[3-[(4S,6S)-2-amino-4-(fluoromethyl)-5,6-dihydro-6-(trifluoromethyl)-4H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(difluoromethyl)- [ACD/Index Name]
N-{3-[(4S,6S)-2-Amino-4-(fluormethyl)-6-(trifluormethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorphenyl}-5-(difluormethyl)-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-{3-[(4S,6S)-2-Amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-(difluoromethyl)-2-pyridinecarboxamide [ACD/IUPAC Name]
N-{3-[(4S,6S)-2-Amino-4-(fluorométhyl)-6-(trifluorométhyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophényl}-5-(difluorométhyl)-2-pyridinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.556
Molar Refractivity: 95.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.08
ACD/KOC (pH 5.5): 562.44
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.74
ACD/KOC (pH 7.4): 570.07
Polar Surface Area: 90 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 39.1±7.0 dyne/cm
Molar Volume: 298.4±7.0 cm3

Click to predict properties on the Chemicalize site


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