N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Compound characteristics
| Compound ID: | E022-1463 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C23 H27 N3 O2 S |
| Smiles: | C(CC(NCCCN1CCc2ccccc2C1)=O)CN1C(c2ccccc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0489 |
| logD: | 0.8448 |
| logSw: | -2.9157 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.563 |
| InChI Key: | PKYHWRFFRNDWBE-UHFFFAOYSA-N |