2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-{[4-(dimethylamino)phenyl]methylidene}-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-{[4-(dimethylamino)phenyl]methylidene}-1,3-thiazol-4(5H)-one
2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-{[4-(dimethylamino)phenyl]methylidene}-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | 5633-3547 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-{[4-(dimethylamino)phenyl]methylidene}-1,3-thiazol-4(5H)-one |
| Molecular Weight: | 363.48 |
| Molecular Formula: | C21 H21 N3 O S |
| Smiles: | CN(C)c1ccc(/C=C2/C(N=C(N3CCc4ccccc4C3)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0918 |
| logD: | 4.0917 |
| logSw: | -4.0484 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.0618 |
| InChI Key: | ZURSKQFMQVBUGW-UHFFFAOYSA-N |