2-methoxy-1-[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-methoxy-1-[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-methoxy-1-[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S978-0105 |
| Compound Name: | 2-methoxy-1-[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 318.41 |
| Molecular Formula: | C18 H26 N2 O3 |
| Smiles: | C[C@H]1COc2ccc(CN3CCCC3)cc2CN1C(COC)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.8293 |
| logD: | -0.2322 |
| logSw: | -2.1641 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.881 |
| InChI Key: | DPRCDYXMTCDKNX-AWEZNQCLSA-N |