1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(3-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(3-methoxyphenyl)ethan-1-one
1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S555-1803 |
| Compound Name: | 1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 340.42 |
| Molecular Formula: | C20 H24 N2 O3 |
| Smiles: | CN(C)c1ccc2c(CN(CCO2)C(Cc2cccc(c2)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4742 |
| logD: | 3.4678 |
| logSw: | -3.6086 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.652 |
| InChI Key: | BYMNCMUETWHLDH-UHFFFAOYSA-N |