2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-propoxyphenyl)acetamide
Chemical Structure Depiction of
2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-propoxyphenyl)acetamide
2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-propoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C089-0107 |
| Compound Name: | 2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-propoxyphenyl)acetamide |
| Molecular Weight: | 649.85 |
| Molecular Formula: | C34 H40 F N5 O3 S2 |
| Smiles: | CCCOc1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)c1ccc(cc1)F)=S)c1cccc(c1)SC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2011 |
| logD: | 4.9743 |
| logSw: | -4.9542 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.036 |
| InChI Key: | NKIDNVYHGUHMFW-WJOKGBTCSA-N |