2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | D458-0873 |
| Compound Name: | 2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 463 |
| Molecular Formula: | C25 H23 Cl N4 O S |
| Smiles: | Cc1c(CC(N2CCc3ccccc3C2)=O)c(C)n(c2nc(cs2)c2ccc(cc2)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 5.8735 |
| logD: | 5.873 |
| logSw: | -6.0571 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.988 |
| InChI Key: | YFVLCGRTJSWXQJ-UHFFFAOYSA-N |