ChemSpider 2D Image | Ethyl 4-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate | C30H29N3O7S

Ethyl 4-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate

  • Molecular FormulaC30H29N3O7S
  • Average mass575.632 Da
  • Monoisotopic mass575.172607 Da
  • ChemSpider ID3133109

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{(Z)-[3-(1,3-Benzodioxol-5-ylméthyl)-5-{2-[(4-éthoxyphényl)amino]-2-oxoéthyl}-4-oxo-1,3-thiazolidin-2-ylidène]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[2-[(4-ethoxyphenyl)amino]-2-oxoethyl]-4-oxo-2-thiazolidinylidene]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate [ACD/IUPAC Name]
ethyl 4-{[(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate
Ethyl-4-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-oxo-1,3-thiazolidin-2-yliden]amino}benzoat [German] [ACD/IUPAC Name]
ethyl 4-[((2Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 153.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1939.22
ACD/KOC (pH 5.5): 7850.04
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1939.34
ACD/KOC (pH 7.4): 7850.54
Polar Surface Area: 141 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 422.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement