ethyl [2-(2,4-dimethylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Chemical Structure Depiction of
ethyl [2-(2,4-dimethylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
ethyl [2-(2,4-dimethylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Compound characteristics
| Compound ID: | E730-1977 |
| Compound Name: | ethyl [2-(2,4-dimethylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C21 H25 N O4 S |
| Smiles: | CCOC(CC1c2ccccc2CCN1S(c1ccc(C)cc1C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5738 |
| logD: | 4.5738 |
| logSw: | -4.2381 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.083 |
| InChI Key: | BLQZUMWXCGQAEL-IBGZPJMESA-N |