ethyl 4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-(4-chloroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-(4-chloroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-(4-chloroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | 8014-8092 |
| Compound Name: | ethyl 4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-(4-chloroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 566.03 |
| Molecular Formula: | C28 H24 Cl N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)[Cl])=O)N(Cc2ccc3c(c2)OCO3)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6153 |
| logD: | 4.6149 |
| logSw: | -4.7816 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.266 |
| InChI Key: | ZLSQTEZUEAVXMN-QFIPXVFZSA-N |