ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-sulfanylideneimidazolidin-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-sulfanylideneimidazolidin-1-yl)benzoate
ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-sulfanylideneimidazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | 8014-2925 |
| Compound Name: | ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-sulfanylideneimidazolidin-1-yl)benzoate |
| Molecular Weight: | 642.73 |
| Molecular Formula: | C34 H34 N4 O7 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1Cc1ccc(cc1)N1CCCC1=O)=S)c1ccc(cc1)C(=O)OCC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5376 |
| logD: | 4.5372 |
| logSw: | -4.0344 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.721 |
| InChI Key: | GQRBENKMCXXCFG-MUUNZHRXSA-N |