3-(4-methoxyphenyl)-1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one
3-(4-methoxyphenyl)-1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one
Compound characteristics
| Compound ID: | T634-0664 |
| Compound Name: | 3-(4-methoxyphenyl)-1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one |
| Molecular Weight: | 408.54 |
| Molecular Formula: | C25 H32 N2 O3 |
| Smiles: | COc1ccc(CCC(N2CCOc3ccc(CN4CCCCC4)cc3C2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9893 |
| logD: | 2.3583 |
| logSw: | -4.089 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.58 |
| InChI Key: | XNMCFLCWAHMRGU-UHFFFAOYSA-N |