methyl [2-(4-acetamidobenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Chemical Structure Depiction of
methyl [2-(4-acetamidobenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
methyl [2-(4-acetamidobenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Compound characteristics
| Compound ID: | E540-0882 |
| Compound Name: | methyl [2-(4-acetamidobenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate |
| Molecular Weight: | 490.57 |
| Molecular Formula: | C24 H30 N2 O7 S |
| Smiles: | CCOc1cc2CCN(C(CC(=O)OC)c2cc1OCC)S(c1ccc(cc1)NC(C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7874 |
| logD: | 1.7871 |
| logSw: | -2.7791 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.186 |
| InChI Key: | DULXRZMHBBXFOF-NRFANRHFSA-N |