N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-fluorobenzamide
Chemical Structure Depiction of
N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-fluorobenzamide
N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-fluorobenzamide
Compound characteristics
| Compound ID: | V016-9209 |
| Compound Name: | N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-fluorobenzamide |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C25 H23 F N2 O5 |
| Smiles: | COc1ccc(CN2Cc3cc(ccc3OCC2=O)NC(c2ccccc2F)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3405 |
| logD: | 3.339 |
| logSw: | -3.7786 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.842 |
| InChI Key: | CAWPVRLDEJAHLV-UHFFFAOYSA-N |