N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-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-4-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C857-0194 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide |
| Molecular Weight: | 450.61 |
| Molecular Formula: | C24 H30 N6 O S |
| Smiles: | C(CNC(C1CCN(CC1)c1nnc(n2cccc2)s1)=O)CN1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 3.4046 |
| logD: | 2.2006 |
| logSw: | -3.3721 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.71 |
| InChI Key: | XQWJVLQZUBRSRB-UHFFFAOYSA-N |