1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(4-fluorophenoxy)ethan-1-one
Chemical Structure Depiction of
1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(4-fluorophenoxy)ethan-1-one
1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(4-fluorophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | T634-0824 |
| Compound Name: | 1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(4-fluorophenoxy)ethan-1-one |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C27 H27 F N2 O3 |
| Smiles: | C1CN(Cc2ccc3c(CN(CCO3)C(COc3ccc(cc3)F)=O)c2)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.2021 |
| logD: | 3.8234 |
| logSw: | -4.2633 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.197 |
| InChI Key: | MRDLPSNNRPFVNV-UHFFFAOYSA-N |