ChemSpider 2D Image | N-{3-[(4S)-2-Amino-5,5-difluoro-4-(fluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyano-2-pyridinecarboxamide | C18H13F4N5O2

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

  • Molecular FormulaC18H13F4N5O2
  • Average mass407.322 Da
  • Monoisotopic mass407.100525 Da
  • ChemSpider ID29403534
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-Pyridinecarboxamide, N-[3-[(4S)-2-amino-5,5-difluoro-4-(fluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyano- [ACD/Index Name]
N-{3-[(4S)-2-Amino-5,5-difluor-4-(fluormethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorphenyl}-5-cyan-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-{3-[(4S)-2-Amino-5,5-difluoro-4-(fluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyano-2-pyridinecarboxamide [ACD/IUPAC Name]
N-{3-[(4S)-2-Amino-5,5-difluoro-4-(fluorométhyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophényl}-5-cyano-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
N-{3-[(4s)-2-Amino-5,5-Difluoro-4-(Fluoromethyl)-5,6-Dihydro-4h-1,3-Oxazin-4-Yl]-4-Fluorophenyl}-5-Cyanopyridine-2-Carboxamide
10.1021/jm400225m
1HO

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: 1.609
Molar Refractivity: 93.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.55
ACD/KOC (pH 5.5): 118.64
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.53
ACD/KOC (pH 7.4): 118.23
Polar Surface Area: 113 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 270.5±7.0 cm3

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