3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1-{7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one
3-(4-methoxyphenyl)-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: | S629-2306 |
| Compound Name: | 3-(4-methoxyphenyl)-1-{7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C26 H32 N2 O4 |
| Smiles: | COc1ccc(CCC(N2CCOc3ccc(CCC(N4CCCC4)=O)cc3C2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7657 |
| logD: | 3.7657 |
| logSw: | -3.9388 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.334 |
| InChI Key: | HKEOAQBUEHFANI-UHFFFAOYSA-N |