2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-5-oxo-1-(prop-2-en-1-yl)-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide
Chemical Structure Depiction of
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-5-oxo-1-(prop-2-en-1-yl)-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-5-oxo-1-(prop-2-en-1-yl)-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C148-0522 |
| Compound Name: | 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-5-oxo-1-(prop-2-en-1-yl)-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide |
| Molecular Weight: | 563.76 |
| Molecular Formula: | C31 H41 N5 O3 S |
| Smiles: | CCCOc1ccc(cc1)NC(CC1C(N(CC=C)C(N1CCCN1CCN(CC1)Cc1ccccc1)=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6629 |
| logD: | 3.2927 |
| logSw: | -3.7957 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.178 |
| InChI Key: | GBQQMUHSYQYLBW-MUUNZHRXSA-N |