2-(3-methylphenoxy)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-methylphenoxy)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(3-methylphenoxy)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | M248-0677 |
| Compound Name: | 2-(3-methylphenoxy)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C23 H26 N2 O4 |
| Smiles: | Cc1cccc(c1)OCC(N1CCOc2ccc(cc2C1)C(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8483 |
| logD: | 2.8483 |
| logSw: | -2.9863 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.817 |
| InChI Key: | SECOGYQNEJHICT-UHFFFAOYSA-N |