ethyl 4-(2-{1-(3-methoxyphenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{1-(3-methoxyphenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
ethyl 4-(2-{1-(3-methoxyphenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C148-0632 |
| Compound Name: | ethyl 4-(2-{1-(3-methoxyphenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 629.78 |
| Molecular Formula: | C34 H39 N5 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)c1ccccc1)=S)c1cccc(c1)OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4282 |
| logD: | 4.2011 |
| logSw: | -4.1526 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.916 |
| InChI Key: | XIWMHEPHPUXJMF-SSEXGKCCSA-N |