ChemSpider 2D Image | MK-0557 | C22H19FN4O3

MK-0557

  • Molecular FormulaC22H19FN4O3
  • Average mass406.410 Da
  • Monoisotopic mass406.144104 Da
  • ChemSpider ID24646755

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1r,4r)-N-[1-(2-Fluorophenyl)-1H-pyrazol-3-yl]-1'-oxo-1'H-spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-4-carboxamide [ACD/IUPAC Name]
328232-95-7 [RN]
HVE36P8422
MK-0557
Spiro[cyclohexane-1,3'(1'H)-furo[3,4-c]pyridine]-4-carboxamide, N-[1-(2-fluorophenyl)-1H-pyrazol-3-yl]-1'-oxo- [ACD/Index Name]
MK 0557 - Bio-X
trans-N-[1-(2-fluorophenyl)-1H-pyrazol-3-yl]-1'-oxospiro[cyclohexane-1,3'(1'H)-furo[3,4-c]pyridine]-4-carboxamide
trans-N-[1-(2-fluorophenyl)-1H-pyrazol-3-yl]-1'-oxo-spiro[cyclohexane-1,3'(1'H)-furo[3,4-c]pyridine]-4-carboxamide
UNII:HVE36P8422
UNII-HVE36P8422

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

Density: 1.5±0.1 g/cm3
Boiling Point: 708.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.4±32.9 °C
Index of Refraction: 1.702
Molar Refractivity: 107.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 165.53
ACD/KOC (pH 5.5): 1347.97
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 165.79
ACD/KOC (pH 7.4): 1350.07
Polar Surface Area: 86 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 58.3±7.0 dyne/cm
Molar Volume: 278.2±7.0 cm3

Click to predict properties on the Chemicalize site


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