1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-phenylethan-1-one
Chemical Structure Depiction of
1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-phenylethan-1-one
1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-phenylethan-1-one
Compound characteristics
| Compound ID: | S555-1894 |
| Compound Name: | 1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-phenylethan-1-one |
| Molecular Weight: | 310.39 |
| Molecular Formula: | C19 H22 N2 O2 |
| Smiles: | CN(C)c1ccc2c(CN(CCO2)C(Cc2ccccc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3733 |
| logD: | 3.3669 |
| logSw: | -3.5726 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 27.1082 |
| InChI Key: | PYJFGHHQKIKGMV-UHFFFAOYSA-N |