3-{4-[(3-fluoro-2-hydroxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
Chemical Structure Depiction of
3-{4-[(3-fluoro-2-hydroxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
3-{4-[(3-fluoro-2-hydroxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2760 |
| Compound Name: | 3-{4-[(3-fluoro-2-hydroxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C23 H27 F N2 O4 |
| Smiles: | C(Cc1ccc2c(CN(CCO2)Cc2cccc(c2O)F)c1)C(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8096 |
| logD: | 2.1984 |
| logSw: | -2.964 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.424 |
| InChI Key: | PBPMDJVJVWNICQ-UHFFFAOYSA-N |