3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
Chemical Structure Depiction of
3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-2468 |
| Compound Name: | 3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide |
| Molecular Weight: | 320.37 |
| Molecular Formula: | C14 H16 N4 O3 S |
| Smiles: | CC(C)Cc1nnc(NC(c2ccc(c(C)c2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.979 |
| logD: | 2.5992 |
| logSw: | -4.2057 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.45 |
| InChI Key: | OUNRBLHXLAQSBN-UHFFFAOYSA-N |