methyl 4-(2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
methyl 4-(2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C089-0502 |
| Compound Name: | methyl 4-(2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 643.81 |
| Molecular Formula: | C35 H41 N5 O5 S |
| Smiles: | CCOc1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)C(=O)OC)=O)N(CCCN2CCN(CC2)Cc2ccccc2)C1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8036 |
| logD: | 3.4335 |
| logSw: | -3.9719 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.196 |
| InChI Key: | URHCWROENAHTPT-WJOKGBTCSA-N |