ChemSpider 2D Image | Methyl [(2E)-5,6-dimethoxy-2-({4-[(4-methoxyphenyl)sulfonyl]butanoyl}imino)-1,3-benzothiazol-3(2H)-yl]acetate | C23H26N2O8S2

Methyl [(2E)-5,6-dimethoxy-2-({4-[(4-methoxyphenyl)sulfonyl]butanoyl}imino)-1,3-benzothiazol-3(2H)-yl]acetate

  • Molecular FormulaC23H26N2O8S2
  • Average mass522.591 Da
  • Monoisotopic mass522.113037 Da
  • ChemSpider ID20871611

  • Double-bond stereo - Double-bond stereo

More details:

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

[(2E)-5,6-Diméthoxy-2-({4-[(4-méthoxyphényl)sulfonyl]butanoyl}imino)-1,3-benzothiazol-3(2H)-yl]acétate de méthyle [French] [ACD/IUPAC Name]
3(2H)-Benzothiazoleacetic acid, 5,6-dimethoxy-2-[[4-[(4-methoxyphenyl)sulfonyl]-1-oxobutyl]imino]-, methyl ester, (2E)- [ACD/Index Name]
Methyl [(2E)-5,6-dimethoxy-2-({4-[(4-methoxyphenyl)sulfonyl]butanoyl}imino)-1,3-benzothiazol-3(2H)-yl]acetate [ACD/IUPAC Name]
Methyl-[(2E)-5,6-dimethoxy-2-({4-[(4-methoxyphenyl)sulfonyl]butanoyl}imino)-1,3-benzothiazol-3(2H)-yl]acetat [German] [ACD/IUPAC Name]
(E)-methyl 2-(5,6-dimethoxy-2-((4-((4-methoxyphenyl)sulfonyl)butanoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 724.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 392.1±35.7 °C
Index of Refraction: 1.603
Molar Refractivity: 132.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.15
ACD/KOC (pH 5.5): 480.50
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.15
ACD/KOC (pH 7.4): 480.50
Polar Surface Area: 154 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 384.2±7.0 cm3

Click to predict properties on the Chemicalize site


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