2-cyclopentyl-1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one
Chemical Structure Depiction of
2-cyclopentyl-1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one
2-cyclopentyl-1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | T634-0846 |
| Compound Name: | 2-cyclopentyl-1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one |
| Molecular Weight: | 404.55 |
| Molecular Formula: | C26 H32 N2 O2 |
| Smiles: | C1CCC(C1)CC(N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7394 |
| logD: | 4.3607 |
| logSw: | -4.8172 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.2561 |
| InChI Key: | RQMWSOZQWJVTKL-UHFFFAOYSA-N |