ethyl 4-(2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
ethyl 4-(2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C148-0587 |
| Compound Name: | ethyl 4-(2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 631.77 |
| Molecular Formula: | C34 H38 F N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)Cc1ccccc1)=S)c1ccc(cc1)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9744 |
| logD: | 3.6043 |
| logSw: | -3.9476 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.652 |
| InChI Key: | XZKKBTJIPIZEAO-SSEXGKCCSA-N |