2-[2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-[2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | D351-0785 |
| Compound Name: | 2-[2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C26 H26 N4 O S |
| Smiles: | Cc1c(Cc2ccccc2)c(C)n(c2nc(CC(N3CCc4ccccc4C3)=O)cs2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2051 |
| logD: | 5.2049 |
| logSw: | -5.1053 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.483 |
| InChI Key: | CWTPSRLJOVAKDX-UHFFFAOYSA-N |