methyl [2-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Chemical Structure Depiction of
methyl [2-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
methyl [2-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Compound characteristics
| Compound ID: | E540-1000 |
| Compound Name: | methyl [2-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate |
| Molecular Weight: | 567.45 |
| Molecular Formula: | C24 H27 Br N2 O7 S |
| Smiles: | CC(N1CCc2cc(c(cc12)S(N1CCc2cc(c(cc2C1CC(=O)OC)OC)OC)(=O)=O)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3808 |
| logD: | 2.3808 |
| logSw: | -2.5842 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.183 |
| InChI Key: | JBWCQUDTNPFSQK-FQEVSTJZSA-N |