{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(3-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(3-methylthiophen-2-yl)methanone
{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(3-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | T634-0809 |
| Compound Name: | {7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(3-methylthiophen-2-yl)methanone |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C25 H26 N2 O2 S |
| Smiles: | Cc1ccsc1C(N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8058 |
| logD: | 4.4271 |
| logSw: | -4.5532 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.2437 |
| InChI Key: | UPYDXAKVLLYJBP-UHFFFAOYSA-N |