4-phenyl-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
Chemical Structure Depiction of
4-phenyl-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
4-phenyl-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
Compound characteristics
| Compound ID: | M248-0582 |
| Compound Name: | 4-phenyl-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C24 H28 N2 O3 |
| Smiles: | C(CC(N1CCOc2ccc(cc2C1)C(N1CCCC1)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.745 |
| logD: | 3.745 |
| logSw: | -4.1243 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.318 |
| InChI Key: | QLJXSMIQSUJFGP-UHFFFAOYSA-N |