1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{5-hydroxy-3-methyl-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-{5-hydroxy-3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{5-hydroxy-3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D475-0144 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{5-hydroxy-3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}ethan-1-one |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C25 H24 N4 O2 S |
| Smiles: | Cc1ccc(cc1)c1csc(n1)n1c(c(CC(N2CCc3ccccc3C2)=O)c(C)n1)O |
| Stereo: | ACHIRAL |
| logP: | 4.9537 |
| logD: | 2.4633 |
| logSw: | -4.4849 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.42 |
| InChI Key: | FHEJTZVTYKRZMI-UHFFFAOYSA-N |