6-bromo-3-(3,4-dihydroisoquinolin-2(1H)-yl)-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
6-bromo-3-(3,4-dihydroisoquinolin-2(1H)-yl)-4H-1-benzothiopyran-4-one
6-bromo-3-(3,4-dihydroisoquinolin-2(1H)-yl)-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G617-0310 |
| Compound Name: | 6-bromo-3-(3,4-dihydroisoquinolin-2(1H)-yl)-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 372.28 |
| Molecular Formula: | C18 H14 Br N O S |
| Smiles: | C1CN(Cc2ccccc12)C1=CSc2ccc(cc2C1=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.1432 |
| logD: | 5.1432 |
| logSw: | -5.3185 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 16.1467 |
| InChI Key: | ZXOZTDNJHKSHLC-UHFFFAOYSA-N |