4-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Chemical Structure Depiction of
4-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
4-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y202-7246 |
| Compound Name: | 4-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide |
| Molecular Weight: | 334.39 |
| Molecular Formula: | C15 H18 N4 O3 S |
| Smiles: | CCC(C)(C)c1nnc(NC(c2ccc(C)c(c2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5477 |
| logD: | 2.6926 |
| logSw: | -4.4128 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.955 |
| InChI Key: | YLUWQTKQKJDALR-UHFFFAOYSA-N |