6-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
6-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | 8018-6074 |
| Compound Name: | 6-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C19 H20 N2 O6 S |
| Smiles: | COc1cc2CCN(Cc2cc1OC)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7528 |
| logD: | 1.7525 |
| logSw: | -2.7528 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.142 |
| InChI Key: | MSLAEMKJCBBICY-UHFFFAOYSA-N |