methyl 4-(2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
methyl 4-(2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C089-0501 |
| Compound Name: | methyl 4-(2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 629.78 |
| Molecular Formula: | C34 H39 N5 O5 S |
| Smiles: | COC(c1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)Cc1ccccc1)=S)c1ccc(cc1)OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4171 |
| logD: | 3.047 |
| logSw: | -3.7899 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.616 |
| InChI Key: | WOPCQXPPKWGFNG-SSEXGKCCSA-N |