N-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutanamide
N-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | K232-1864 |
| Compound Name: | N-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutanamide |
| Molecular Weight: | 538.42 |
| Molecular Formula: | C25 H20 Br N3 O4 S |
| Smiles: | C(CC(N1CCc2ccccc2C1)=O)C(Nc1nc(cs1)C1=Cc2cc(ccc2OC1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2626 |
| logD: | 4.2515 |
| logSw: | -4.3925 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.867 |
| InChI Key: | SGCHXUZLKBJCDH-UHFFFAOYSA-N |