ChemSpider 2D Image | Ethyl [(2Z)-2-{[4-(dipropylsulfamoyl)benzoyl]imino}-6-ethoxy-1,3-benzothiazol-3(2H)-yl]acetate | C26H33N3O6S2

Ethyl [(2Z)-2-{[4-(dipropylsulfamoyl)benzoyl]imino}-6-ethoxy-1,3-benzothiazol-3(2H)-yl]acetate

  • Molecular FormulaC26H33N3O6S2
  • Average mass547.687 Da
  • Monoisotopic mass547.181091 Da
  • ChemSpider ID3811403

  • Double-bond stereo - Double-bond stereo

More details:

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

[(2Z)-2-{[4-(Dipropylsulfamoyl)benzoyl]imino}-6-éthoxy-1,3-benzothiazol-3(2H)-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
3(2H)-Benzothiazoleacetic acid, 2-[[4-[(dipropylamino)sulfonyl]benzoyl]imino]-6-ethoxy-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl [(2Z)-2-{[4-(dipropylsulfamoyl)benzoyl]imino}-6-ethoxy-1,3-benzothiazol-3(2H)-yl]acetate [ACD/IUPAC Name]
Ethyl-[(2Z)-2-{[4-(dipropylsulfamoyl)benzoyl]imino}-6-ethoxy-1,3-benzothiazol-3(2H)-yl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 686.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.2±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 147.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3374.72
ACD/KOC (pH 5.5): 11670.96
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3374.72
ACD/KOC (pH 7.4): 11670.96
Polar Surface Area: 139 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 430.2±7.0 cm3

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