ChemSpider 2D Image | N-{3-[(1R,5S,6R)-3-Amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-5-(1,3-oxazol-4-ylmethoxy)-2-pyrazinecarboxamide | C21H17F3N6O4

N-{3-[(1R,5S,6R)-3-Amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-5-(1,3-oxazol-4-ylmethoxy)-2-pyrazinecarboxamide

  • Molecular FormulaC21H17F3N6O4
  • Average mass474.393 Da
  • Monoisotopic mass474.126343 Da
  • ChemSpider ID58887895

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Pyrazinecarboxamide, N-[3-[(1R,5S,6R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-5-(4-oxazolylmethoxy)- [ACD/Index Name]
N-{3-[(1R,5S,6R)-3-Amino-5-(difluormethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorphenyl}-5-(1,3-oxazol-4-ylmethoxy)-2-pyrazincarboxamid [German] [ACD/IUPAC Name]
N-{3-[(1R,5S,6R)-3-Amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-5-(1,3-oxazol-4-ylmethoxy)-2-pyrazinecarboxamide [ACD/IUPAC Name]
N-{3-[(1R,5S,6R)-3-Amino-5-(difluorométhyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-én-5-yl]-4-fluorophényl}-5-(1,3-oxazol-4-ylméthoxy)-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: 1.710
Molar Refractivity: 108.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.43
ACD/KOC (pH 5.5): 144.04
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.56
ACD/KOC (pH 7.4): 146.62
Polar Surface Area: 138 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 278.8±7.0 cm3

Click to predict properties on the Chemicalize site


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