1-{7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-phenylpropan-1-one
Chemical Structure Depiction of
1-{7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-phenylpropan-1-one
1-{7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-phenylpropan-1-one
Compound characteristics
| Compound ID: | S629-2263 |
| Compound Name: | 1-{7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-phenylpropan-1-one |
| Molecular Weight: | 406.52 |
| Molecular Formula: | C25 H30 N2 O3 |
| Smiles: | CC(C(N1CCOc2ccc(CCC(N3CCCC3)=O)cc2C1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0536 |
| logD: | 4.0536 |
| logSw: | -4.1076 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.318 |
| InChI Key: | MXQPDUVCNJJCJX-LJQANCHMSA-N |