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-cyano-2-pyridinecarboxamide | C19H14F5N5O2

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

  • Molecular FormulaC19H14F5N5O2
  • Average mass439.339 Da
  • Monoisotopic mass439.106781 Da
  • ChemSpider ID29404192
  • 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-cyano- [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-cyan-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-cyano-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-cyano-2-pyridinecarboxamide [French] [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-Cyanopyridine-2-Carboxamide
10.1021/jm400225m
1HM

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.593
Molar Refractivity: 98.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.10
ACD/KOC (pH 5.5): 241.95
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.28
ACD/KOC (pH 7.4): 244.73
Polar Surface Area: 113 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 289.4±7.0 cm3

Click to predict properties on the Chemicalize site






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