1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(3-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(3-fluorophenyl)ethan-1-one
1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(3-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | T634-0508 |
| Compound Name: | 1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(3-fluorophenyl)ethan-1-one |
| Molecular Weight: | 396.5 |
| Molecular Formula: | C24 H29 F N2 O2 |
| Smiles: | C1CCCN(CC1)Cc1ccc2c(CN(CCO2)C(Cc2cccc(c2)F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3618 |
| logD: | 2.7558 |
| logSw: | -4.2915 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.3671 |
| InChI Key: | UOIDCAIHGRXGIE-UHFFFAOYSA-N |