2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
Compound ID: | C148-0558 |
Compound Name: | 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide |
Molecular Weight: | 589.73 |
Molecular Formula: | C32 H36 F N5 O3 S |
Smiles: | COc1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)Cc1ccccc1)=S)c1ccc(cc1)F)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.3554 |
logD: | 2.9853 |
logSw: | -3.6696 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.442 |
InChI Key: | WVTUNMVRPPYFNK-GDLZYMKVSA-N |