1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(4-fluorophenyl)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-(4-fluorophenyl)ethan-1-one
1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(4-fluorophenyl)ethan-1-one
Compound characteristics
Compound ID: | T634-0922 |
Compound Name: | 1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(4-fluorophenyl)ethan-1-one |
Molecular Weight: | 430.52 |
Molecular Formula: | C27 H27 F N2 O2 |
Smiles: | C1CN(Cc2ccc3c(CN(CCO3)C(Cc3ccc(cc3)F)=O)c2)Cc2ccccc12 |
Stereo: | ACHIRAL |
logP: | 4.7002 |
logD: | 4.3215 |
logSw: | -4.6957 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 27.698 |
InChI Key: | NVXWJYLCQXAPPR-UHFFFAOYSA-N |