N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-nitrobenzamide
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-2580 |
| Compound Name: | N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 346.41 |
| Molecular Formula: | C16 H18 N4 O3 S |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1nnc(C2CCCCC2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5089 |
| logD: | 3.1489 |
| logSw: | -4.3282 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.876 |
| InChI Key: | FKCXASZEBVKAQZ-UHFFFAOYSA-N |