2-[1-(3-chloro-4-methoxyphenyl)-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[1-(3-chloro-4-methoxyphenyl)-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
2-[1-(3-chloro-4-methoxyphenyl)-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C089-0064 |
| Compound Name: | 2-[1-(3-chloro-4-methoxyphenyl)-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 654.2 |
| Molecular Formula: | C33 H37 Cl F N5 O4 S |
| Smiles: | CCOc1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)c1ccc(cc1)F)=S)c1ccc(c(c1)[Cl])OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5577 |
| logD: | 4.331 |
| logSw: | -4.5978 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.372 |
| InChI Key: | KSYONLGXPVXHOQ-GDLZYMKVSA-N |