2-(3-methylphenyl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-methylphenyl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(3-methylphenyl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | M248-0584 |
| Compound Name: | 2-(3-methylphenyl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 378.47 |
| Molecular Formula: | C23 H26 N2 O3 |
| Smiles: | Cc1cccc(CC(N2CCOc3ccc(cc3C2)C(N2CCCC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5473 |
| logD: | 3.5473 |
| logSw: | -3.4794 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.318 |
| InChI Key: | YGKLUDRSCLIWPU-UHFFFAOYSA-N |