N-{5-[4-(4-methylphenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{5-[4-(4-methylphenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide
N-{5-[4-(4-methylphenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | E157-1981 |
| Compound Name: | N-{5-[4-(4-methylphenyl)piperazine-1-sulfonyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide |
| Molecular Weight: | 488.54 |
| Molecular Formula: | C20 H20 N6 O5 S2 |
| Smiles: | Cc1ccc(cc1)N1CCN(CC1)S(c1nnc(NC(c2cccc(c2)[N+]([O-])=O)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9054 |
| logD: | 1.1642 |
| logSw: | -3.8592 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.002 |
| InChI Key: | PPVPRVJBXANZTM-UHFFFAOYSA-N |