N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitrobenzamide
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-2581 |
| Compound Name: | N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 308.31 |
| Molecular Formula: | C12 H12 N4 O4 S |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1nnc(COC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3066 |
| logD: | 0.907 |
| logSw: | -2.8228 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.874 |
| InChI Key: | OKQXQVUBSKINKX-UHFFFAOYSA-N |