N-(3-chlorophenyl)-5-[1-(4-cyanobenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-[1-(4-cyanobenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-[1-(4-cyanobenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L076-0561 |
| Compound Name: | N-(3-chlorophenyl)-5-[1-(4-cyanobenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 451.93 |
| Molecular Formula: | C22 H18 Cl N5 O2 S |
| Smiles: | C1CN(CCC1c1nnc(C(Nc2cccc(c2)[Cl])=O)s1)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5221 |
| logD: | 3.5188 |
| logSw: | -3.9876 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.267 |
| InChI Key: | ZMSJOHMQHKFNAC-UHFFFAOYSA-N |