2-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-[3-(methylsulfanyl)phenyl]-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-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide
2-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide
Compound characteristics
Compound ID: | C089-0262 |
Compound Name: | 2-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide |
Molecular Weight: | 626.22 |
Molecular Formula: | C31 H33 Cl F N5 O2 S2 |
Smiles: | CSc1cccc(c1)N1C(C(CC(Nc2ccc(cc2)F)=O)N(CCCN2CCN(CC2)c2cccc(c2)[Cl])C1=S)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.7038 |
logD: | 4.4766 |
logSw: | -4.7232 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.618 |
InChI Key: | BJCMEXIXRUNJSQ-NDEPHWFRSA-N |