ChemSpider 2D Image | (E)-N-(4,5-Dichloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-1-[(4-methoxyphenyl)sulfonyl]prolinamide | C20H19Cl2N3O4S2

(E)-N-(4,5-Dichloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-1-[(4-methoxyphenyl)sulfonyl]prolinamide

  • Molecular FormulaC20H19Cl2N3O4S2
  • Average mass500.419 Da
  • Monoisotopic mass499.019409 Da
  • ChemSpider ID20750096

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-N-(4,5-Dichlor-3-methyl-1,3-benzothiazol-2(3H)-yliden)-1-[(4-methoxyphenyl)sulfonyl]prolinamid [German] [ACD/IUPAC Name]
(E)-N-(4,5-Dichloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-1-[(4-methoxyphenyl)sulfonyl]prolinamide [ACD/IUPAC Name]
(E)-N-(4,5-Dichloro-3-méthyl-1,3-benzothiazol-2(3H)-ylidène)-1-[(4-méthoxyphényl)sulfonyl]prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-[(2E)-4,5-dichloro-3-methyl-2(3H)-benzothiazolylidene]-1-[(4-methoxyphenyl)sulfonyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 670.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.6±34.3 °C
Index of Refraction: 1.698
Molar Refractivity: 124.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1827.37
ACD/KOC (pH 5.5): 7523.38
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1827.37
ACD/KOC (pH 7.4): 7523.38
Polar Surface Area: 113 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 322.0±7.0 cm3

Click to predict properties on the Chemicalize site


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