N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-nitrobenzamide
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-1924 |
| Compound Name: | N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 336.37 |
| Molecular Formula: | C14 H16 N4 O4 S |
| Smiles: | CC(C)(C)c1nnc(NC(c2ccc(c(c2)[N+]([O-])=O)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.1093 |
| logD: | 1.6493 |
| logSw: | -3.5888 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.586 |
| InChI Key: | MRMMGXSJATWUHL-UHFFFAOYSA-N |