{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(5-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}(5-methylthiophen-2-yl)methanone
{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(5-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | T634-0919 |
| Compound Name: | {7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(5-methylthiophen-2-yl)methanone |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C25 H26 N2 O2 S |
| Smiles: | Cc1ccc(C(N2CCOc3ccc(CN4CCc5ccccc5C4)cc3C2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0758 |
| logD: | 4.6971 |
| logSw: | -4.7732 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.2437 |
| InChI Key: | PCPCLTBWSONUAI-UHFFFAOYSA-N |