1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Chemical Structure Depiction of
1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | S555-2088 |
| Compound Name: | 1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one |
| Molecular Weight: | 329.4 |
| Molecular Formula: | C18 H23 N3 O3 |
| Smiles: | Cc1c(CC(N2CCOc3ccc(cc3C2)N(C)C)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.4822 |
| logD: | 2.4758 |
| logSw: | -2.7603 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.146 |
| InChI Key: | UCNDWFAQNJNBTL-UHFFFAOYSA-N |