ethyl 4-(2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
ethyl 4-(2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C089-0469 |
| Compound Name: | ethyl 4-(2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 581.73 |
| Molecular Formula: | C30 H39 N5 O5 S |
| Smiles: | CCN1CCN(CCCN2C(CC(Nc3ccc(cc3)C(=O)OCC)=O)C(N(C2=S)c2ccc(cc2)OC)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7742 |
| logD: | 1.826 |
| logSw: | -3.2185 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.192 |
| InChI Key: | RONPPAPRHQFSSL-AREMUKBSSA-N |