ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | 8013-5084 |
| Compound Name: | ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 582.08 |
| Molecular Formula: | C29 H28 Cl N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)[Cl])=O)N(Cc2ccc(c(c2)OC)OC)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3171 |
| logD: | 4.3167 |
| logSw: | -4.6216 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.412 |
| InChI Key: | XMQCPTXWPYFWBP-QHCPKHFHSA-N |