1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D458-1077 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}ethan-1-one |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C25 H23 F N4 O S |
| Smiles: | Cc1c(CC(N2CCc3ccccc3C2)=O)c(C)n(c2nc(cs2)c2ccc(cc2)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.3078 |
| logD: | 5.3077 |
| logSw: | -5.2636 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.988 |
| InChI Key: | ANKKUBAWKDRJKH-UHFFFAOYSA-N |