3-[4-(3-fluoro-4-methoxybenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-[4-(3-fluoro-4-methoxybenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
3-[4-(3-fluoro-4-methoxybenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2299 |
| Compound Name: | 3-[4-(3-fluoro-4-methoxybenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C24 H27 F N2 O4 |
| Smiles: | COc1ccc(cc1F)C(N1CCOc2ccc(CCC(N3CCCC3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1335 |
| logD: | 3.1335 |
| logSw: | -3.1998 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.948 |
| InChI Key: | LZKAFTUGRUULGD-UHFFFAOYSA-N |