3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-2-benzothiopyran-1-one
Chemical Structure Depiction of
3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-2-benzothiopyran-1-one
3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-2-benzothiopyran-1-one
Compound characteristics
| Compound ID: | D443-2480 |
| Compound Name: | 3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-2-benzothiopyran-1-one |
| Molecular Weight: | 321.4 |
| Molecular Formula: | C19 H15 N O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(C1=Cc2ccccc2C(=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7564 |
| logD: | 3.7564 |
| logSw: | -4.0811 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.5418 |
| InChI Key: | DXCUDMXOBZVUKE-UHFFFAOYSA-N |