3-{4-[(2,4-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
Chemical Structure Depiction of
3-{4-[(2,4-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
3-{4-[(2,4-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2740 |
| Compound Name: | 3-{4-[(2,4-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one |
| Molecular Weight: | 416.47 |
| Molecular Formula: | C23 H26 F2 N2 O3 |
| Smiles: | C(Cc1ccc2c(CN(CCO2)Cc2ccc(cc2F)F)c1)C(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0416 |
| logD: | 2.6024 |
| logSw: | -3.0879 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.945 |
| InChI Key: | DEDIVFIRZVOTAX-UHFFFAOYSA-N |