3-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-2-benzothiopyran-1-one
Chemical Structure Depiction of
3-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-2-benzothiopyran-1-one
3-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-2-benzothiopyran-1-one
Compound characteristics
| Compound ID: | Y043-8347 |
| Compound Name: | 3-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-2-benzothiopyran-1-one |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C21 H19 N O4 S |
| Smiles: | COc1cc2CCN(Cc2cc1OC)C(C1=Cc2ccccc2C(=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.34 |
| logD: | 3.34 |
| logSw: | -3.6489 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.803 |
| InChI Key: | YJLPZNQIJNWAAT-UHFFFAOYSA-N |