3-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
3-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8012-6067 |
| Compound Name: | 3-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-4H-1-benzopyran-4-one--hydrogen chloride (1/1) |
| Molecular Weight: | 401.89 |
| Molecular Formula: | C22 H23 N O4 |
| Salt: | HCl |
| Smiles: | CCOc1cc2CCNC(C3=COc4ccccc4C3=O)c2cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1087 |
| logD: | 1.8246 |
| logSw: | -3.0703 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.472 |
| InChI Key: | BRNMQWNJLZTXNN-NRFANRHFSA-N |