ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | C148-0576 |
| Compound Name: | ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate |
| Molecular Weight: | 689.81 |
| Molecular Formula: | C36 H40 F N5 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)c1ccc(cc1)F)=S)c1ccc(cc1)C(=O)OCC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0163 |
| logD: | 4.7892 |
| logSw: | -4.4714 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.126 |
| InChI Key: | FBWVNDJLHRRPOU-WJOKGBTCSA-N |