N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-nitrobenzamide
Chemical Structure Depiction of
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-nitrobenzamide
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3273 |
| Compound Name: | N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-nitrobenzamide |
| Molecular Weight: | 346.41 |
| Molecular Formula: | C16 H18 N4 O3 S |
| Smiles: | Cc1cccc(C(Nc2nnc(C3CCCCC3)s2)=O)c1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4265 |
| logD: | 0.8074 |
| logSw: | -4.4504 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.575 |
| InChI Key: | PZSCLZPYDXOVBT-UHFFFAOYSA-N |