methyl N-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}glycinate
Chemical Structure Depiction of
methyl N-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}glycinate
methyl N-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}glycinate
Compound characteristics
| Compound ID: | T634-0971 |
| Compound Name: | methyl N-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}glycinate |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C23 H27 N3 O4 |
| Smiles: | COC(CNC(N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6104 |
| logD: | 2.2317 |
| logSw: | -2.9372 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.219 |
| InChI Key: | XSJLQUBBRBULAT-UHFFFAOYSA-N |