ethyl 4-(2-{1-(3-chloro-4-methoxyphenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{1-(3-chloro-4-methoxyphenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
ethyl 4-(2-{1-(3-chloro-4-methoxyphenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C148-0654 |
| Compound Name: | ethyl 4-(2-{1-(3-chloro-4-methoxyphenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 664.22 |
| Molecular Formula: | C34 H38 Cl N5 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)c1ccccc1)=S)c1ccc(c(c1)[Cl])OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6396 |
| logD: | 4.4125 |
| logSw: | -4.8594 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.002 |
| InChI Key: | RNHKBOGCVNNKCL-GDLZYMKVSA-N |