ethyl 4-{3-[(3,4-dimethoxyphenyl)methyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[(3,4-dimethoxyphenyl)methyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{3-[(3,4-dimethoxyphenyl)methyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | 8013-5082 |
| Compound Name: | ethyl 4-{3-[(3,4-dimethoxyphenyl)methyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 577.66 |
| Molecular Formula: | C30 H31 N3 O7 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)OC)=O)N(Cc2ccc(c(c2)OC)OC)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7048 |
| logD: | 3.7048 |
| logSw: | -4.1538 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.955 |
| InChI Key: | WPTPJVIQRZABEP-XMMPIXPASA-N |