ChemSpider 2D Image | {2-[(4-Methylphenyl)amino]-1,3-thiazol-4-yl}methyl N-[(2,6-dichlorophenyl)sulfonyl]-beta-alaninate | C20H19Cl2N3O4S2

{2-[(4-Methylphenyl)amino]-1,3-thiazol-4-yl}methyl N-[(2,6-dichlorophenyl)sulfonyl]-β-alaninate

  • Molecular FormulaC20H19Cl2N3O4S2
  • Average mass500.419 Da
  • Monoisotopic mass499.019409 Da
  • ChemSpider ID1875640

More details:

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

{2-[(4-Methylphenyl)amino]-1,3-thiazol-4-yl}methyl N-[(2,6-dichlorophenyl)sulfonyl]-β-alaninate [ACD/IUPAC Name]
{2-[(4-Methylphenyl)amino]-1,3-thiazol-4-yl}methyl-N-[(2,6-dichlorphenyl)sulfonyl]-β-alaninat [German] [ACD/IUPAC Name]
N-[(2,6-Dichlorophényl)sulfonyl]-β-alaninate de {2-[(4-méthylphényl)amino]-1,3-thiazol-4-yl}méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[(2,6-dichlorophenyl)sulfonyl]-, [2-[(4-methylphenyl)amino]-4-thiazolyl]methyl ester [ACD/Index 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: 664.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 355.5±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 122.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1470.00
ACD/KOC (pH 5.5): 6437.59
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1460.87
ACD/KOC (pH 7.4): 6397.61
Polar Surface Area: 134 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 342.7±3.0 cm3

Click to predict properties on the Chemicalize site


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