2-[3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
2-[3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C089-0495 |
| Compound Name: | 2-[3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 610.15 |
| Molecular Formula: | C31 H33 Cl F N5 O3 S |
| Smiles: | COc1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)F)=O)N(CCCN2CCN(CC2)c2cccc(c2)[Cl])C1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.258 |
| logD: | 4.0308 |
| logSw: | -4.4025 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.162 |
| InChI Key: | QCJHFCOEPVAQCN-NDEPHWFRSA-N |