methyl 3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
Chemical Structure Depiction of
methyl 3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
methyl 3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
Compound characteristics
| Compound ID: | F312-0171 |
| Compound Name: | methyl 3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate |
| Molecular Weight: | 399.42 |
| Molecular Formula: | C20 H17 N O6 S |
| Smiles: | COC(c1ccc2c(C=C(C(=O)O2)S(N2CCc3ccccc3C2)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2604 |
| logD: | 3.2604 |
| logSw: | -3.5926 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.707 |
| InChI Key: | LJYFXKFIVFSSEI-UHFFFAOYSA-N |