ethyl 4-(2-{1-(4-chlorophenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{1-(4-chlorophenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
ethyl 4-(2-{1-(4-chlorophenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C148-0630 |
| Compound Name: | ethyl 4-(2-{1-(4-chlorophenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 634.2 |
| Molecular Formula: | C33 H36 Cl N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)c1ccccc1)=S)c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.859 |
| logD: | 4.6319 |
| logSw: | -4.8307 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.372 |
| InChI Key: | NKXLBZYMLIXWKW-GDLZYMKVSA-N |