N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y205-5137 |
| Compound Name: | N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 370.38 |
| Molecular Formula: | C17 H14 N4 O4 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(Nc1nnc(c2ccc(cc2)OC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0541 |
| logD: | 3.8546 |
| logSw: | -4.2895 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.227 |
| InChI Key: | BFQQHSFZVMFLCW-UHFFFAOYSA-N |