{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}[1-(4-methoxyphenyl)cyclopropyl]methanone
Chemical Structure Depiction of
{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}[1-(4-methoxyphenyl)cyclopropyl]methanone
{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}[1-(4-methoxyphenyl)cyclopropyl]methanone
Compound characteristics
| Compound ID: | T634-0557 |
| Compound Name: | {7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}[1-(4-methoxyphenyl)cyclopropyl]methanone |
| Molecular Weight: | 434.58 |
| Molecular Formula: | C27 H34 N2 O3 |
| Smiles: | COc1ccc(cc1)C1(CC1)C(N1CCOc2ccc(CN3CCCCCC3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4071 |
| logD: | 2.801 |
| logSw: | -4.2443 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.69 |
| InChI Key: | NFOIQACBXMIWIM-UHFFFAOYSA-N |