ChemSpider 2D Image | CHR-3996 | C20H19FN6O2

CHR-3996

  • Molecular FormulaC20H19FN6O2
  • Average mass394.402 Da
  • Monoisotopic mass394.155365 Da
  • ChemSpider ID26632319

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-[(1R,5S,6s)-6-{[(6-Fluor-2-chinolinyl)methyl]amino}-3-azabicyclo[3.1.0]hex-3-yl]-N-hydroxy-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
2-[(1R,5S,6s)-6-{[(6-Fluoro-2-quinoléinyl)méthyl]amino}-3-azabicyclo[3.1.0]hex-3-yl]-N-hydroxy-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
2-[(1R,5S,6s)-6-{[(6-Fluoro-2-quinolinyl)methyl]amino}-3-azabicyclo[3.1.0]hex-3-yl]-N-hydroxy-5-pyrimidinecarboxamide [ACD/IUPAC Name]
5-Pyrimidinecarboxamide, 2-[(1R,5S)-6-[[(6-fluoro-2-quinolinyl)methyl]amino]-3-azabicyclo[3.1.0]hex-3-yl]-N-hydroxy- [ACD/Index Name]
CHR-3996
1235859-13-8 [RN]
1256448-47-1 [RN]
2-[(1R,5S,6R)-6-{[(6-fluoroquinolin-2-yl)methyl]amino}-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide
2-[(1S,5R)-6-[(6-fluoroquinolin-2-yl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide
CHR 3996
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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: 1.726
Molar Refractivity: 103.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 45.59
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.78
ACD/KOC (pH 7.4): 47.39
Polar Surface Area: 103 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 86.4±5.0 dyne/cm
Molar Volume: 260.7±5.0 cm3

Click to predict properties on the Chemicalize site


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