ethyl 4-(4-[2-(4-methoxyanilino)-2-oxoethyl]-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(4-[2-(4-methoxyanilino)-2-oxoethyl]-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
ethyl 4-(4-[2-(4-methoxyanilino)-2-oxoethyl]-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | C089-0451 |
| Compound Name: | ethyl 4-(4-[2-(4-methoxyanilino)-2-oxoethyl]-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate |
| Molecular Weight: | 659.81 |
| Molecular Formula: | C35 H41 N5 O6 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)OC)=O)N(CCCN2CCN(CC2)c2ccc(cc2)OC)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3506 |
| logD: | 4.1238 |
| logSw: | -3.9816 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.46 |
| InChI Key: | PUVQHTRFMXCNQQ-WJOKGBTCSA-N |