N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | Y031-5994 |
| Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide |
| Molecular Weight: | 420.96 |
| Molecular Formula: | C20 H25 Cl N4 O2 S |
| Smiles: | CC(C)(C)C(N1CCC(CC1)C(Nc1nnc(Cc2ccc(cc2)[Cl])s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8615 |
| logD: | 3.8049 |
| logSw: | -4.3025 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.018 |
| InChI Key: | ULLOKVNXTMRAGK-UHFFFAOYSA-N |