ethyl 4-{3-[3-(4-benzylpiperazin-1-yl)propyl]-4-[2-(4-chloroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[3-(4-benzylpiperazin-1-yl)propyl]-4-[2-(4-chloroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{3-[3-(4-benzylpiperazin-1-yl)propyl]-4-[2-(4-chloroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | C148-0530 |
| Compound Name: | ethyl 4-{3-[3-(4-benzylpiperazin-1-yl)propyl]-4-[2-(4-chloroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 648.23 |
| Molecular Formula: | C34 H38 Cl N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)[Cl])=O)N(CCCN2CCN(CC2)Cc2ccccc2)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5401 |
| logD: | 4.17 |
| logSw: | -4.5794 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.652 |
| InChI Key: | WAOFNTRPZKUUCW-PMERELPUSA-N |