7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | T634-0959 |
| Compound Name: | 7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C27 H29 N3 O3 |
| Smiles: | COc1ccccc1NC(N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8346 |
| logD: | 4.4559 |
| logSw: | -4.5143 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.979 |
| InChI Key: | FAYZMRRVASTVSU-UHFFFAOYSA-N |