ChemSpider 2D Image | 4-Ethoxy-1-(4-fluorophenyl)-N-{5-[(3-methylbutyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1H-pyrazole-3-carboxamide | C19H22FN5O2S2

4-Ethoxy-1-(4-fluorophenyl)-N-{5-[(3-methylbutyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1H-pyrazole-3-carboxamide

  • Molecular FormulaC19H22FN5O2S2
  • Average mass435.539 Da
  • Monoisotopic mass435.119904 Da
  • ChemSpider ID58454678

More details:

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

1H-Pyrazole-3-carboxamide, 4-ethoxy-1-(4-fluorophenyl)-N-[5-[(3-methylbutyl)thio]-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]
4-Ethoxy-1-(4-fluorophenyl)-N-{5-[(3-methylbutyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
4-Éthoxy-1-(4-fluorophényl)-N-{5-[(3-méthylbutyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
4-Ethoxy-1-(4-fluorphenyl)-N-{5-[(3-methylbutyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
4-ethoxy-1-(4-fluorophenyl)-N-(5-(isopentylthio)-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.655
Molar Refractivity: 115.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 208.13
ACD/KOC (pH 5.5): 1197.26
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 9.61
ACD/KOC (pH 7.4): 55.27
Polar Surface Area: 135 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 315.5±7.0 cm3

Click to predict properties on the Chemicalize site


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