ChemSpider 2D Image | N-(3-Chlorobenzyl)-2-{[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetyl}hydrazinecarbothioamide | C17H17ClF3N5OS

N-(3-Chlorobenzyl)-2-{[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetyl}hydrazinecarbothioamide

  • Molecular FormulaC17H17ClF3N5OS
  • Average mass431.863 Da
  • Monoisotopic mass431.079437 Da
  • ChemSpider ID102422882

More details:

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

Cyclopenta[c]pyrazole-1(4H)-acetic acid, 5,6-dihydro-3-(trifluoromethyl)-, 2-[[[(3-chlorophenyl)methyl]amino]thioxomethyl]hydrazide [ACD/Index Name]
N-(3-Chlorbenzyl)-2-{[3-(trifluormethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetyl}hydrazincarbothioamid [German] [ACD/IUPAC Name]
N-(3-Chlorobenzyl)-2-{[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetyl}hydrazinecarbothioamide [ACD/IUPAC Name]
N-(3-Chlorobenzyl)-2-{2-[3-(trifluorométhyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acétyl}hydrazinecarbothioamide [French] [ACD/IUPAC Name]

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: 1.653
Molar Refractivity: 102.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 140.80
ACD/KOC (pH 5.5): 1200.87
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 134.15
ACD/KOC (pH 7.4): 1144.21
Polar Surface Area: 103 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 279.6±7.0 cm3

Click to predict properties on the Chemicalize site


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