2-{1-(3-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{1-(3-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-ethoxyphenyl)acetamide
2-{1-(3-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C089-0514 |
| Compound Name: | 2-{1-(3-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 544.12 |
| Molecular Formula: | C27 H34 Cl N5 O3 S |
| Smiles: | CCOc1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(C)CC1)=S)c1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8541 |
| logD: | 2.0395 |
| logSw: | -3.6147 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.958 |
| InChI Key: | CMKUGUVJHISFRI-XMMPIXPASA-N |