2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3,4-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide
Chemical Structure Depiction of
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3,4-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3,4-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C089-0521 |
| Compound Name: | 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3,4-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide |
| Molecular Weight: | 668.69 |
| Molecular Formula: | C34 H39 Cl2 N5 O3 S |
| Smiles: | CCCOc1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)Cc1ccccc1)=S)c1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6422 |
| logD: | 5.2721 |
| logSw: | -5.8573 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.316 |
| InChI Key: | KJHCZVNSRWMCSC-WJOKGBTCSA-N |