ethyl N-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}-beta-alaninate
Chemical Structure Depiction of
ethyl N-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}-beta-alaninate
ethyl N-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}-beta-alaninate
Compound characteristics
| Compound ID: | T634-0969 |
| Compound Name: | ethyl N-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}-beta-alaninate |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C25 H31 N3 O4 |
| Smiles: | CCOC(CCNC(N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4279 |
| logD: | 3.0491 |
| logSw: | -3.4961 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.64 |
| InChI Key: | GMSCKSKORSAGNW-UHFFFAOYSA-N |