2-(2-{4-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-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: | D351-0853 |
| Compound Name: | 2-(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1,3-thiazol-4-yl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 477.03 |
| Molecular Formula: | C26 H25 Cl N4 O S |
| Smiles: | Cc1c(Cc2ccc(cc2)[Cl])c(C)n(c2nc(CC(N3CCc4ccccc4C3)=O)cs2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7999 |
| logD: | 5.7996 |
| logSw: | -5.9395 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.483 |
| InChI Key: | QJJJQNBOLBGEAG-UHFFFAOYSA-N |