ChemSpider 2D Image | oxazine 89 | C19H15F4N5O2

oxazine 89

  • Molecular FormulaC19H15F4N5O2
  • Average mass421.348 Da
  • Monoisotopic mass421.116180 Da
  • ChemSpider ID29407056

  • 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-5,6-dihydro-4-methyl-6-(trifluoromethyl)-4H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyano- [ACD/Index Name]
N-{3-[(4S,6S)-2-Amino-4-methyl-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-methyl-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-méthyl-6-(trifluorométhyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophényl}-5-cyano-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
oxazine 89
1HL
N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
N‐{3‐[(4S,6S)‐2‐amino‐4‐methyl‐6‐(trifluoromethyl)‐5,6‐dihydro‐4H‐1,3‐oxazin‐4‐yl]‐4‐fluorophenyl}‐5‐cyanopyridine‐2‐carboxamide

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: 1.603
Molar Refractivity: 98.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 16.65
ACD/KOC (pH 5.5): 244.89
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.58
ACD/KOC (pH 7.4): 302.65
Polar Surface Area: 113 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 285.6±7.0 cm3

Click to predict properties on the Chemicalize site


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