N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide
N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | V016-9185 |
| Compound Name: | N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide |
| Molecular Weight: | 464.49 |
| Molecular Formula: | C26 H25 F N2 O5 |
| Smiles: | COc1ccc(CN2Cc3cc(ccc3OCC2=O)NC(Cc2ccc(cc2)F)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2756 |
| logD: | 3.2755 |
| logSw: | -3.4317 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.629 |
| InChI Key: | UHDCFQKRBXIYFG-UHFFFAOYSA-N |