ethyl 4-(2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
ethyl 4-(2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C089-0297 |
| Compound Name: | ethyl 4-(2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 597.8 |
| Molecular Formula: | C30 H39 N5 O4 S2 |
| Smiles: | CCN1CCN(CCCN2C(CC(Nc3ccc(cc3)C(=O)OCC)=O)C(N(C2=S)c2cccc(c2)SC)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2201 |
| logD: | 2.2719 |
| logSw: | -3.4432 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.648 |
| InChI Key: | TXEUGXPAVZWBTM-AREMUKBSSA-N |