ethyl 4-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
ethyl 4-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | C089-0497 |
| Compound Name: | ethyl 4-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate |
| Molecular Weight: | 652.19 |
| Molecular Formula: | C33 H35 Cl F N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)F)=O)N(CCCN2CCN(CC2)c2cccc(c2)[Cl])C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.877 |
| logD: | 4.6498 |
| logSw: | -4.8682 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.372 |
| InChI Key: | TXZUBJCYGZJXDA-LJAQVGFWSA-N |