{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(1-methyl-1H-pyrazol-5-yl)methanone
Chemical Structure Depiction of
{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(1-methyl-1H-pyrazol-5-yl)methanone
{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(1-methyl-1H-pyrazol-5-yl)methanone
Compound characteristics
| Compound ID: | T634-0866 |
| Compound Name: | {7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(1-methyl-1H-pyrazol-5-yl)methanone |
| Molecular Weight: | 402.5 |
| Molecular Formula: | C24 H26 N4 O2 |
| Smiles: | Cn1c(ccn1)C(N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8542 |
| logD: | 2.4755 |
| logSw: | -3.1043 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.876 |
| InChI Key: | HPXRYPRUNMUWTM-UHFFFAOYSA-N |