2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C089-0009 |
| Compound Name: | 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 636.21 |
| Molecular Formula: | C33 H38 Cl N5 O4 S |
| Smiles: | COc1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)Cc1ccccc1)=S)c1ccc(c(c1)[Cl])OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7016 |
| logD: | 3.3315 |
| logSw: | -4.1323 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.073 |
| InChI Key: | ZWPJQDONAKWWCO-GDLZYMKVSA-N |