N-{5-[(benzenesulfonyl)methyl]-1,3,4-thiadiazol-2-yl}-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{5-[(benzenesulfonyl)methyl]-1,3,4-thiadiazol-2-yl}-4-methyl-3-nitrobenzamide
N-{5-[(benzenesulfonyl)methyl]-1,3,4-thiadiazol-2-yl}-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-4144 |
| Compound Name: | N-{5-[(benzenesulfonyl)methyl]-1,3,4-thiadiazol-2-yl}-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C17 H14 N4 O5 S2 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(Nc1nnc(CS(c2ccccc2)(=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0039 |
| logD: | 1.108 |
| logSw: | -3.5891 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.215 |
| InChI Key: | UJUWKNDGTSDMSN-UHFFFAOYSA-N |