1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-phenoxyethan-1-one
1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | T634-0550 |
| Compound Name: | 1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-phenoxyethan-1-one |
| Molecular Weight: | 394.51 |
| Molecular Formula: | C24 H30 N2 O3 |
| Smiles: | C1CCCN(CC1)Cc1ccc2c(CN(CCO2)C(COc2ccccc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6675 |
| logD: | 2.0614 |
| logSw: | -3.7669 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.866 |
| InChI Key: | ZSPOAFRCRFBQLG-UHFFFAOYSA-N |