ethyl 4-(3-[3-(4-benzylpiperazin-1-yl)propyl]-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(3-[3-(4-benzylpiperazin-1-yl)propyl]-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
ethyl 4-(3-[3-(4-benzylpiperazin-1-yl)propyl]-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | C148-0589 |
| Compound Name: | ethyl 4-(3-[3-(4-benzylpiperazin-1-yl)propyl]-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate |
| Molecular Weight: | 685.84 |
| Molecular Formula: | C37 H43 N5 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)Cc1ccccc1)=S)c1ccc(cc1)C(=O)OCC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5467 |
| logD: | 4.1766 |
| logSw: | -4.1087 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.406 |
| InChI Key: | IDZIMMNGKPYCRB-JGCGQSQUSA-N |