1-{7-[(diethylamino)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-3-(4-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-{7-[(diethylamino)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-3-(4-methoxyphenyl)propan-1-one
1-{7-[(diethylamino)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-3-(4-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | T634-0355 |
| Compound Name: | 1-{7-[(diethylamino)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-3-(4-methoxyphenyl)propan-1-one |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C24 H32 N2 O3 |
| Smiles: | CCN(CC)Cc1ccc2c(CN(CCO2)C(CCc2ccc(cc2)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8764 |
| logD: | 2.1228 |
| logSw: | -3.9019 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.28 |
| InChI Key: | ZIJWYPLUDBWOIF-UHFFFAOYSA-N |