ChemSpider 2D Image | 4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-ylsulfonyl]-1-fluoroethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide | C16H20F3N5O4S

4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-ylsulfonyl]-1-fluoroethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide

  • Molecular FormulaC16H20F3N5O4S
  • Average mass435.421 Da
  • Monoisotopic mass435.118805 Da
  • ChemSpider ID81367782

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1970972-74-7 [RN]
1-Piperidinecarboxamide, 4-[(1R)-1-[[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]sulfonyl]-1-fluoroethyl]-N-3-isoxazolyl- [ACD/Index Name]
4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-ylsulfonyl]-1-fluoroethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
4-[(1R)-1-{[3-(Difluormethyl)-1-methyl-1H-pyrazol-4-yl]sulfonyl}-1-fluorethyl]-N-(1,2-oxazol-3-yl)-1-piperidincarboxamid [German] [ACD/IUPAC Name]
4-[(1R)-1-{[3-(Difluoromethyl)-1-methyl-1H-pyrazol-4-yl]sulfonyl}-1-fluoroethyl]-N-(1,2-oxazol-3-yl)-1-piperidinecarboxamide [ACD/IUPAC Name]
4-[(1R)-1-{[3-(Difluorométhyl)-1-méthyl-1H-pyrazol-4-yl]sulfonyl}-1-fluoroéthyl]-N-(1,2-oxazol-3-yl)-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-[(1R)-1-{[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]sulfonyl}-1-fluoroethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
Danicamtiv

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

Density: 1.6±0.1 g/cm3
Boiling Point: 699.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.6±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 97.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.57
ACD/KOC (pH 5.5): 133.94
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.57
ACD/KOC (pH 7.4): 133.94
Polar Surface Area: 119 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 276.6±7.0 cm3

Click to predict properties on the Chemicalize site


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