N-tert-butyl-7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-tert-butyl-7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-tert-butyl-7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | T634-0903 |
| Compound Name: | N-tert-butyl-7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 393.53 |
| Molecular Formula: | C24 H31 N3 O2 |
| Smiles: | CC(C)(C)NC(N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3517 |
| logD: | 3.973 |
| logSw: | -4.172 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.464 |
| InChI Key: | QXWQJASSOAFZFR-UHFFFAOYSA-N |