methyl [6,7-diethoxy-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Chemical Structure Depiction of
methyl [6,7-diethoxy-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
methyl [6,7-diethoxy-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Compound characteristics
| Compound ID: | E540-0912 |
| Compound Name: | methyl [6,7-diethoxy-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate |
| Molecular Weight: | 504.56 |
| Molecular Formula: | C24 H28 N2 O8 S |
| Smiles: | CCOc1cc2CCN(C(CC(=O)OC)c2cc1OCC)S(c1ccc2c(c1)OC(N2C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.92 |
| logD: | 1.92 |
| logSw: | -3.1471 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 89.79 |
| InChI Key: | WDKPVENCYRIULS-IBGZPJMESA-N |