2-[4-(4-methyl-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-1,3-benzoxazole
Chemical Structure Depiction of
2-[4-(4-methyl-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-1,3-benzoxazole
2-[4-(4-methyl-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-1,3-benzoxazole
Compound characteristics
| Compound ID: | 8015-3050 |
| Compound Name: | 2-[4-(4-methyl-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-1,3-benzoxazole |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C18 H18 N4 O5 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(N1CCN(CC1)c1nc2ccccc2o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8864 |
| logD: | 3.8863 |
| logSw: | -4.0317 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.443 |
| InChI Key: | YMCADCGDKDMBEY-UHFFFAOYSA-N |