1-(2,2-dimethylpropanoyl)-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-(2,2-dimethylpropanoyl)-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}piperidine-4-carboxamide
1-(2,2-dimethylpropanoyl)-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | Y031-6036 |
| Compound Name: | 1-(2,2-dimethylpropanoyl)-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}piperidine-4-carboxamide |
| Molecular Weight: | 418.58 |
| Molecular Formula: | C20 H26 N4 O2 S2 |
| Smiles: | CC(C)(C)C(N1CCC(CC1)C(Nc1nnc(CSc2ccccc2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5411 |
| logD: | 3.2018 |
| logSw: | -3.5507 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.018 |
| InChI Key: | QABQSVRCOHRJDA-UHFFFAOYSA-N |