8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2,3-dihydro-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2,3-dihydro-4H-1-benzothiopyran-4-one
8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2,3-dihydro-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G777-0219 |
| Compound Name: | 8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2,3-dihydro-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 323.41 |
| Molecular Formula: | C19 H17 N O2 S |
| Smiles: | C1CSc2c(cccc2C(N2CCc3ccccc3C2)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.1226 |
| logD: | 3.1226 |
| logSw: | -3.4719 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.7171 |
| InChI Key: | PYHWDUVVWMHZGQ-UHFFFAOYSA-N |