N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-nitrobenzamide
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-1788 |
| Compound Name: | N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 320.37 |
| Molecular Formula: | C14 H16 N4 O3 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(Nc1nnc(C(C)(C)C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8515 |
| logD: | 1.5622 |
| logSw: | -4.1158 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.955 |
| InChI Key: | XWWZDTHVAULLJQ-UHFFFAOYSA-N |