1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D458-0924 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}ethan-1-one |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C26 H26 N4 O S |
| Smiles: | Cc1ccc(cc1)c1csc(n1)n1c(C)c(CC(N2CCc3ccccc3C2)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7022 |
| logD: | 5.6995 |
| logSw: | -5.4961 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.988 |
| InChI Key: | PEGYEVDCPJSXBX-UHFFFAOYSA-N |