ChemSpider 2D Image | N-{2-[(4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(fluoromethyl)-2-pyrazinecarboxamide | C17H19FN6O2S2

N-{2-[(4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(fluoromethyl)-2-pyrazinecarboxamide

  • Molecular FormulaC17H19FN6O2S2
  • Average mass422.500 Da
  • Monoisotopic mass422.099487 Da
  • ChemSpider ID76778807

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Pyrazinecarboxamide, N-[2-[(4aR,6S,8aR)-2-amino-4,4a,5,6-tetrahydro-6-methylpyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-4-thiazolyl]-5-(fluoromethyl)- [ACD/Index Name]
N-{2-[(4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(fluormethyl)-2-pyrazincarboxamid [German] [ACD/IUPAC Name]
N-{2-[(4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(fluoromethyl)-2-pyrazinecarboxamide [ACD/IUPAC Name]
N-{2-[(4aR,6S,8aR)-2-Amino-6-méthyl-4,4a,5,6-tétrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(fluorométhyl)-2-pyrazinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.780
Molar Refractivity: 106.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.72
ACD/KOC (pH 5.5): 88.64
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.80
ACD/KOC (pH 7.4): 90.51
Polar Surface Area: 169 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 69.3±7.0 dyne/cm
Molar Volume: 252.6±7.0 cm3

Click to predict properties on the Chemicalize site


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