N~1~-benzyl-N~2~-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}ethanediamide
Chemical Structure Depiction of
N~1~-benzyl-N~2~-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}ethanediamide
N~1~-benzyl-N~2~-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}ethanediamide
Compound characteristics
| Compound ID: | 2142-0161 |
| Compound Name: | N~1~-benzyl-N~2~-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}ethanediamide |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C22 H28 N4 O4 S |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CCNC(C(NCc2ccccc2)=O)=O)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5894 |
| logD: | 1.5543 |
| logSw: | -2.4974 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.679 |
| InChI Key: | MERVZASSDMXGPT-UHFFFAOYSA-N |