1-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-phenylethan-1-one
Chemical Structure Depiction of
1-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-phenylethan-1-one
1-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-phenylethan-1-one
Compound characteristics
| Compound ID: | K940-0405 |
| Compound Name: | 1-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-phenylethan-1-one |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C18 H19 N3 O5 S |
| Smiles: | C(C(N1CCN(CC1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3044 |
| logD: | 2.3044 |
| logSw: | -2.7208 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.26 |
| InChI Key: | XJAXSHZBMCNOSO-UHFFFAOYSA-N |