3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
Chemical Structure Depiction of
3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-1568 |
| Compound Name: | 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide |
| Molecular Weight: | 278.29 |
| Molecular Formula: | C11 H10 N4 O3 S |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1nnc(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.366 |
| logD: | 0.9664 |
| logSw: | -2.8752 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.762 |
| InChI Key: | IKEIPTKGMNYAAW-UHFFFAOYSA-N |