N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide
Chemical Structure Depiction of
N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide
N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide
Compound characteristics
| Compound ID: | V017-4537 |
| Compound Name: | N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide |
| Molecular Weight: | 468.46 |
| Molecular Formula: | C25 H22 F2 N2 O5 |
| Smiles: | COc1ccc(CN2Cc3cc(ccc3OCC2=O)NC(c2ccc(cc2F)F)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6618 |
| logD: | 3.6489 |
| logSw: | -4.0124 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.842 |
| InChI Key: | YWWHSEOCXKWZGE-UHFFFAOYSA-N |