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Deprecated ChemSpider Record

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ChemSpider 2D Image | (4S)-3-(4-Chlorophenyl)-N-{[(4-chlorophenyl)sulfonyl]methyl}-N'-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide | C24H22Cl2N4O2S


  • Molecular FormulaC24H22Cl2N4O2S
  • Average mass501.428 Da
  • Monoisotopic mass500.084045 Da
  • ChemSpider ID24765166
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Date of deprecation: 15:12, Jun 24, 2015
Reason for deprecation: Deprecate record: Extra carbon.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(4S)-3-(4-Chlorophenyl)-N-{[(4-chlorophenyl)sulfonyl]methyl}-N'-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide [ACD/IUPAC Name]
(4S)-3-(4-Chlorophényl)-N-{[(4-chlorophényl)sulfonyl]méthyl}-N'-méthyl-4-phényl-4,5-dihydro-1H-pyrazole-1-carboximidamide [French] [ACD/IUPAC Name]
(4S)-3-(4-Chlorphenyl)-N-{[(4-chlorphenyl)sulfonyl]methyl}-N'-methyl-4-phenyl-4,5-dihydro-1H-pyrazol-1-carboximidamid [German] [ACD/IUPAC Name]
1H-Pyrazole-1-carboximidamide, 3-(4-chlorophenyl)-N'-[[(4-chlorophenyl)sulfonyl]methyl]-4,5-dihydro-N-methyl-4-phenyl-, (4S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 652.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.2±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 134.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 337.30
ACD/KOC (pH 5.5): 1471.22
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1427.77
ACD/KOC (pH 7.4): 6227.55
Polar Surface Area: 83 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 367.5±7.0 cm3

Click to predict properties on the Chemicalize site