3-{4-[(3,4-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylpropanamide
Chemical Structure Depiction of
3-{4-[(3,4-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylpropanamide
3-{4-[(3,4-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylpropanamide
Compound characteristics
| Compound ID: | S629-1175 |
| Compound Name: | 3-{4-[(3,4-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylpropanamide |
| Molecular Weight: | 374.43 |
| Molecular Formula: | C21 H24 F2 N2 O2 |
| Smiles: | CN(C)C(CCc1ccc2c(CN(CCO2)Cc2ccc(c(c2)F)F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9995 |
| logD: | 2.469 |
| logSw: | -3.102 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.3884 |
| InChI Key: | LSRDNNQPRIQAGM-UHFFFAOYSA-N |