ChemSpider 2D Image | ATB-337 | C23H15Cl2NO2S3

ATB-337

  • Molecular FormulaC23H15Cl2NO2S3
  • Average mass504.472 Da
  • Monoisotopic mass502.964203 Da
  • ChemSpider ID10122623

More details:

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

{2-[(2,6-Dichlorophényl)amino]phényl}acétate de 4-(3-thioxo-3H-1,2-dithiol-5-yl)phényle [French] [ACD/IUPAC Name]
4-(3-Thioxo-3H-1,2-dithiol-5-yl)phenyl {2-[(2,6-dichlorophenyl)amino]phenyl}acetate [ACD/IUPAC Name]
4-(3-Thioxo-3H-1,2-dithiol-5-yl)phenyl-{2-[(2,6-dichlorphenyl)amino]phenyl}acetat [German] [ACD/IUPAC Name]
912758-00-0 [RN]
ATB-337
Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, 4-(3-thioxo-3H-1,2-dithiol-5-yl)phenyl ester [ACD/Index Name]
S-Diclofenac
[912758-00-0] [RN]
2-[(2,6-dichlorophenyl)amino]-benzeneacetic acid, 4-(3-thioxo-3H-1,2-dithiol-5-yl)phenyl ester
4-(3-Thioxo-3H-1,2-dithiol-5-yl)phenyl ester-2-((2,6-dichlorophenyl)amino)-benzeneacetic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 640.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.3±34.3 °C
Index of Refraction: 1.756
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 6.90
ACD/BCF (pH 5.5): 102552.62
ACD/KOC (pH 5.5): 134404.61
ACD/LogD (pH 7.4): 6.90
ACD/BCF (pH 7.4): 102552.62
ACD/KOC (pH 7.4): 134404.61
Polar Surface Area: 121 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 78.5±5.0 dyne/cm
Molar Volume: 329.9±5.0 cm3

Click to predict properties on the Chemicalize site


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