ChemSpider 2D Image | N-[6-Ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2(3H)-ylidene]-2-{[(4-methylphenyl)sulfonyl]amino}benzamide | C26H27N3O5S2

N-[6-Ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2(3H)-ylidene]-2-{[(4-methylphenyl)sulfonyl]amino}benzamide

  • Molecular FormulaC26H27N3O5S2
  • Average mass525.640 Da
  • Monoisotopic mass525.139221 Da
  • ChemSpider ID35314478

More details:

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

Benzamide, N-[6-ethoxy-3-(2-methoxyethyl)-2(3H)-benzothiazolylidene]-2-[[(4-methylphenyl)sulfonyl]amino]- [ACD/Index Name]
N-[6-Ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2(3H)-yliden]-2-{[(4-methylphenyl)sulfonyl]amino}benzamid [German] [ACD/IUPAC Name]
N-[6-Ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2(3H)-ylidene]-2-{[(4-methylphenyl)sulfonyl]amino}benzamide [ACD/IUPAC Name]
N-[6-Éthoxy-3-(2-méthoxyéthyl)-1,3-benzothiazol-2(3H)-ylidène]-2-{[(4-méthylphényl)sulfonyl]amino}benzamide [French] [ACD/IUPAC Name]
865161-94-0 [RN]
N-[(2Z)-6-ethoxy-3-(2-methoxyethyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-(4-methylbenzenesulfonamido)benzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 697.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 375.8±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 142.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1735.57
ACD/KOC (pH 5.5): 7231.30
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 999.30
ACD/KOC (pH 7.4): 4163.62
Polar Surface Area: 131 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 399.2±7.0 cm3

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