2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C148-0653 |
| Compound Name: | 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 606.19 |
| Molecular Formula: | C32 H36 Cl N5 O3 S |
| Smiles: | COc1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)Cc1ccccc1)=S)c1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9658 |
| logD: | 3.5957 |
| logSw: | -4.3303 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.442 |
| InChI Key: | BVRNOJHGXXVFGP-GDLZYMKVSA-N |