2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4(5H)-one
2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | Y505-3044 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4(5H)-one |
| Molecular Weight: | 352.46 |
| Molecular Formula: | C19 H20 N4 O S |
| Smiles: | Cc1c(/C=C2/C(N=C(N3CCc4ccccc4C3)S2)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.4718 |
| logD: | 2.4718 |
| logSw: | -2.4682 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.096 |
| InChI Key: | UIYJHUWUZQJRAM-UHFFFAOYSA-N |