ChemSpider 2D Image | 4-(1-{[3-(Difluoromethyl)-1-methyl-1H-pyrazol-4-yl]sulfonyl}-1-fluoroethyl)-N-[(3E)-1,2-oxazol-3(2H)-ylidene]-1-piperidinecarboxamide | C16H20F3N5O4S

4-(1-{[3-(Difluoromethyl)-1-methyl-1H-pyrazol-4-yl]sulfonyl}-1-fluoroethyl)-N-[(3E)-1,2-oxazol-3(2H)-ylidene]-1-piperidinecarboxamide

  • Molecular FormulaC16H20F3N5O4S
  • Average mass435.421 Da
  • Monoisotopic mass435.118805 Da
  • ChemSpider ID88295998

More details:

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

1-Piperidinecarboxamide, 4-[1-[[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]sulfonyl]-1-fluoroethyl]-N-[(3E)-3(2H)-isoxazolylidene]- [ACD/Index Name]
4-(1-{[3-(Difluormethyl)-1-methyl-1H-pyrazol-4-yl]sulfonyl}-1-fluorethyl)-N-[(3E)-1,2-oxazol-3(2H)-yliden]-1-piperidincarboxamid [German] [ACD/IUPAC Name]
4-(1-{[3-(Difluoromethyl)-1-methyl-1H-pyrazol-4-yl]sulfonyl}-1-fluoroethyl)-N-[(3E)-1,2-oxazol-3(2H)-ylidene]-1-piperidinecarboxamide [ACD/IUPAC Name]
4-(1-{[3-(Difluorométhyl)-1-méthyl-1H-pyrazol-4-yl]sulfonyl}-1-fluoroéthyl)-N-[(3E)-1,2-oxazol-3(2H)-ylidène]-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1970972-74-7 [RN]
D11824
Danicamtiv
Danicamtiv (MYK-491)
Danicamtiv (USAN/INN)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 594.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 313.0±32.9 °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: 0.25
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.11
ACD/KOC (pH 5.5): 37.35
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.11
ACD/KOC (pH 7.4): 37.50
Polar Surface Area: 114 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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