3-(3,4-dihydroisoquinolin-2(1H)-yl)-6-methyl-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
3-(3,4-dihydroisoquinolin-2(1H)-yl)-6-methyl-4H-1-benzothiopyran-4-one
3-(3,4-dihydroisoquinolin-2(1H)-yl)-6-methyl-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G617-0037 |
| Compound Name: | 3-(3,4-dihydroisoquinolin-2(1H)-yl)-6-methyl-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 307.41 |
| Molecular Formula: | C19 H17 N O S |
| Smiles: | Cc1ccc2c(c1)C(C(=CS2)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6723 |
| logD: | 4.6723 |
| logSw: | -4.3553 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 16.1467 |
| InChI Key: | IWARPMQCUGEJAR-UHFFFAOYSA-N |