2-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-hydroxycyclohex-2-en-1-one
Chemical Structure Depiction of
2-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-hydroxycyclohex-2-en-1-one
2-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-hydroxycyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8016-4272 |
| Compound Name: | 2-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-hydroxycyclohex-2-en-1-one |
| Molecular Weight: | 345.39 |
| Molecular Formula: | C19 H23 N O5 |
| Smiles: | CC(N1CCc2cc(c(cc2C1C1=C(CCCC1=O)O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8454 |
| logD: | 0.8453 |
| logSw: | -1.0939 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.479 |
| InChI Key: | YEJCRIVQDUGRNS-IBGZPJMESA-N |