N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E958-0409 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide |
| Molecular Weight: | 450.61 |
| Molecular Formula: | C24 H30 N6 O S |
| Smiles: | C1CC(CN(C1)c1nnc(n2cccc2)s1)C(NCCCN1CCc2ccccc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3872 |
| logD: | 2.1832 |
| logSw: | -3.4229 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.643 |
| InChI Key: | JKQMRMIUBFXLEV-NRFANRHFSA-N |