3-(4-methylbenzene-1-sulfonyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
Chemical Structure Depiction of
3-(4-methylbenzene-1-sulfonyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
3-(4-methylbenzene-1-sulfonyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | K978-0579 |
| Compound Name: | 3-(4-methylbenzene-1-sulfonyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C20 H23 N3 O5 S |
| Smiles: | Cc1ccc(cc1)S(CCC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5492 |
| logD: | 2.5492 |
| logSw: | -2.6035 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.037 |
| InChI Key: | JZJDNRSLJALEQO-UHFFFAOYSA-N |