N-[(3-bromophenyl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
N-[(3-bromophenyl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | C796-0227 |
| Compound Name: | N-[(3-bromophenyl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide |
| Molecular Weight: | 446.37 |
| Molecular Formula: | C19 H20 Br N5 O S |
| Smiles: | C1CC(CN(C1)c1nnc(n2cccc2)s1)C(NCc1cccc(c1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6482 |
| logD: | 3.6481 |
| logSw: | -3.8049 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.157 |
| InChI Key: | FTVHWMDJIOFCIH-HNNXBMFYSA-N |