3-{4-[(2-ethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
Chemical Structure Depiction of
3-{4-[(2-ethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
3-{4-[(2-ethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2733 |
| Compound Name: | 3-{4-[(2-ethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C25 H32 N2 O4 |
| Smiles: | CCOc1ccccc1CN1CCOc2ccc(CCC(N3CCOCC3)=O)cc2C1 |
| Stereo: | ACHIRAL |
| logP: | 3.2019 |
| logD: | 1.4158 |
| logSw: | -3.1448 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.155 |
| InChI Key: | VKQPXSAXQDHUTN-UHFFFAOYSA-N |