{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(phenyl)methanone
Chemical Structure Depiction of
{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(phenyl)methanone
{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(phenyl)methanone
Compound characteristics
| Compound ID: | T634-0863 |
| Compound Name: | {7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(phenyl)methanone |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C26 H26 N2 O2 |
| Smiles: | C1CN(Cc2ccc3c(CN(CCO3)C(c3ccccc3)=O)c2)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.1985 |
| logD: | 3.8198 |
| logSw: | -4.2721 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.2254 |
| InChI Key: | FJFFEUKBGVLNSY-UHFFFAOYSA-N |