N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 2280-6958 |
| Compound Name: | N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide |
| Molecular Weight: | 386.38 |
| Molecular Formula: | C17 H14 N4 O5 S |
| Smiles: | COc1ccc(c(c1)OC)c1nnc(NC(c2ccc(cc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.7024 |
| logD: | 3.6985 |
| logSw: | -4.0572 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.159 |
| InChI Key: | PLIFNGJCADPQLS-UHFFFAOYSA-N |