ChemSpider 2D Image | (4S,5R)-N-[4-Chloro-3-(trifluoromethyl)phenyl]-3-oxo-4,5-diphenyl-1-pyrazolidinecarbothioamide | C23H17ClF3N3OS

(4S,5R)-N-[4-Chloro-3-(trifluoromethyl)phenyl]-3-oxo-4,5-diphenyl-1-pyrazolidinecarbothioamide

  • Molecular FormulaC23H17ClF3N3OS
  • Average mass475.914 Da
  • Monoisotopic mass475.073303 Da
  • ChemSpider ID24680560

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,5R)-N-[4-Chlor-3-(trifluormethyl)phenyl]-3-oxo-4,5-diphenyl-1-pyrazolidincarbothioamid [German] [ACD/IUPAC Name]
(4S,5R)-N-[4-Chloro-3-(trifluoromethyl)phenyl]-3-oxo-4,5-diphenyl-1-pyrazolidinecarbothioamide [ACD/IUPAC Name]
(4S,5R)-N-[4-Chloro-3-(trifluorométhyl)phényl]-3-oxo-4,5-diphényl-1-pyrazolidinecarbothioamide [French] [ACD/IUPAC Name]
1-Pyrazolidinecarbothioamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-4,5-diphenyl-, (4S,5R)- [ACD/Index Name]
(4S,5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-4,5-diphenylpyrazolidine-1-carbothioamide
150351-93-2 [RN]
CID 44382706
LY 219057
LY-294920

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: 1.646
Molar Refractivity: 120.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11846.84
ACD/KOC (pH 5.5): 28672.16
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11747.91
ACD/KOC (pH 7.4): 28432.71
Polar Surface Area: 76 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 332.6±3.0 cm3

Click to predict properties on the Chemicalize site


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