ChemSpider 2D Image | 3-(Dimethylsulfamoyl)benzyl (2E)-3-[5-chloro-1-(2-chlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylate | C23H23Cl2N3O4S

3-(Dimethylsulfamoyl)benzyl (2E)-3-[5-chloro-1-(2-chlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylate

  • Molecular FormulaC23H23Cl2N3O4S
  • Average mass508.417 Da
  • Monoisotopic mass507.078644 Da
  • ChemSpider ID1876722

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[5-Chloro-1-(2-chlorobenzyl)-3-méthyl-1H-pyrazol-4-yl]acrylate de 3-(diméthylsulfamoyl)benzyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl]-, [3-[(dimethylamino)sulfonyl]phenyl]methyl ester, (2E)- [ACD/Index Name]
3-(Dimethylsulfamoyl)benzyl (2E)-3-[5-chloro-1-(2-chlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylate [ACD/IUPAC Name]
3-(Dimethylsulfamoyl)benzyl-(2E)-3-[5-chlor-1-(2-chlorbenzyl)-3-methyl-1H-pyrazol-4-yl]acrylat [German] [ACD/IUPAC Name]

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

ZINC03399514 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 664.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 355.9±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 132.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1098.14
ACD/KOC (pH 5.5): 5225.17
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1098.14
ACD/KOC (pH 7.4): 5225.19
Polar Surface Area: 90 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 383.3±7.0 cm3

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