3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-6-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-6-methoxy-2H-1-benzopyran-2-one
3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | F312-0079 |
| Compound Name: | 3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-6-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 371.41 |
| Molecular Formula: | C19 H17 N O5 S |
| Smiles: | COc1ccc2c(C=C(C(=O)O2)S(N2CCc3ccccc3C2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0635 |
| logD: | 3.0635 |
| logSw: | -3.5693 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.077 |
| InChI Key: | DQGPCGMQYDEWBC-UHFFFAOYSA-N |