2-[2-(4-butyl-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-butyl-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-butyl-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: | D351-0717 |
| Compound Name: | 2-[2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 408.56 |
| Molecular Formula: | C23 H28 N4 O S |
| Smiles: | CCCCc1c(C)nn(c1C)c1nc(CC(N2CCc3ccccc3C2)=O)cs1 |
| Stereo: | ACHIRAL |
| logP: | 5.2069 |
| logD: | 5.2068 |
| logSw: | -4.975 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.755 |
| InChI Key: | RVZOEWVJOQYWQC-UHFFFAOYSA-N |