1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(thiophen-2-yl)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-(thiophen-2-yl)ethan-1-one
1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | T634-0813 |
| Compound Name: | 1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C25 H26 N2 O2 S |
| Smiles: | C1CN(Cc2ccc3c(CN(CCO3)C(Cc3cccs3)=O)c2)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.2224 |
| logD: | 3.8437 |
| logSw: | -4.2758 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.7163 |
| InChI Key: | CZSXQKFBQHJRHE-UHFFFAOYSA-N |