3-methyl-1-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
Chemical Structure Depiction of
3-methyl-1-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
3-methyl-1-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
Compound characteristics
| Compound ID: | S555-0196 |
| Compound Name: | 3-methyl-1-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one |
| Molecular Weight: | 302.42 |
| Molecular Formula: | C18 H26 N2 O2 |
| Smiles: | CC(C)CC(N1CCOc2ccc(cc2C1)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4314 |
| logD: | 3.4311 |
| logSw: | -3.5229 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 28.3935 |
| InChI Key: | WPUARWJMHVFNLU-UHFFFAOYSA-N |