2-cyclohexyl-1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-cyclohexyl-1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-cyclohexyl-1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S555-1857 |
| Compound Name: | 2-cyclohexyl-1-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 316.44 |
| Molecular Formula: | C19 H28 N2 O2 |
| Smiles: | CN(C)c1ccc2c(CN(CCO2)C(CC2CCCCC2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1244 |
| logD: | 4.118 |
| logSw: | -4.216 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 27.3004 |
| InChI Key: | ONBCRBDIEUDWBC-UHFFFAOYSA-N |