ethyl 4-{2-[1-(3-chloro-4-methoxyphenyl)-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[1-(3-chloro-4-methoxyphenyl)-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
ethyl 4-{2-[1-(3-chloro-4-methoxyphenyl)-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
Compound characteristics
Compound ID: | C089-0289 |
Compound Name: | ethyl 4-{2-[1-(3-chloro-4-methoxyphenyl)-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate |
Molecular Weight: | 682.21 |
Molecular Formula: | C34 H37 Cl F N5 O5 S |
Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)c1ccc(cc1)F)=S)c1ccc(c(c1)[Cl])OC)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.7902 |
logD: | 4.5631 |
logSw: | -5.0057 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.002 |
InChI Key: | QHDFULCTZWBZTE-GDLZYMKVSA-N |