ethyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
ethyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8014-7619 |
| Compound Name: | ethyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 566.03 |
| Molecular Formula: | C28 H24 Cl N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1Cc1ccc2c(c1)OCO2)=S)c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6153 |
| logD: | 4.615 |
| logSw: | -4.7816 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.266 |
| InChI Key: | HDCBNNNGXJRUCC-JOCHJYFZSA-N |