ethyl 4-{3-[2-(3,4-diethoxyphenyl)ethyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[2-(3,4-diethoxyphenyl)ethyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{3-[2-(3,4-diethoxyphenyl)ethyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | 8012-5788 |
| Compound Name: | ethyl 4-{3-[2-(3,4-diethoxyphenyl)ethyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 619.74 |
| Molecular Formula: | C33 H37 N3 O7 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)OC)=O)N(CCc2ccc(c(c2)OCC)OCC)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.609 |
| logD: | 4.609 |
| logSw: | -4.3739 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.093 |
| InChI Key: | KSSYIACGXKHYSS-HHHXNRCGSA-N |