3-methoxy-1-{7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one
Chemical Structure Depiction of
3-methoxy-1-{7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one
3-methoxy-1-{7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one
Compound characteristics
| Compound ID: | S629-2311 |
| Compound Name: | 3-methoxy-1-{7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one |
| Molecular Weight: | 360.45 |
| Molecular Formula: | C20 H28 N2 O4 |
| Smiles: | COCCC(N1CCOc2ccc(CCC(N3CCCC3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6685 |
| logD: | 1.6685 |
| logSw: | -2.092 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.404 |
| InChI Key: | SDLLJKKZDZVNTM-UHFFFAOYSA-N |