ethyl 4-{3-[3-(4-benzylpiperazin-1-yl)propyl]-4-[2-(4-ethoxyanilino)-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-ethoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{3-[3-(4-benzylpiperazin-1-yl)propyl]-4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | C148-0581 |
| Compound Name: | ethyl 4-{3-[3-(4-benzylpiperazin-1-yl)propyl]-4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 657.83 |
| Molecular Formula: | C36 H43 N5 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)OCC)=O)N(CCCN2CCN(CC2)Cc2ccccc2)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3143 |
| logD: | 3.9442 |
| logSw: | -3.9152 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.776 |
| InChI Key: | IRUIPYXCRSMSBU-JGCGQSQUSA-N |