1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S555-1885 |
| Compound Name: | 1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 328.41 |
| Molecular Formula: | C18 H24 N4 O2 |
| Smiles: | Cc1cc(C)n(CC(N2CCOc3ccc(cc3C2)N(C)C)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.5421 |
| logD: | 1.5357 |
| logSw: | -2.0146 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.115 |
| InChI Key: | XKNALIBUCGPJMO-UHFFFAOYSA-N |