N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-difluorobenzamide
Chemical Structure Depiction of
N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-difluorobenzamide
N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-difluorobenzamide
Compound characteristics
| Compound ID: | V016-8374 |
| Compound Name: | N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-difluorobenzamide |
| Molecular Weight: | 468.46 |
| Molecular Formula: | C25 H22 F2 N2 O5 |
| Smiles: | COc1cccc(CN2Cc3cc(ccc3OCC2=O)NC(c2c(cccc2F)F)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 3.5733 |
| logD: | 3.5604 |
| logSw: | -4.0332 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.016 |
| InChI Key: | BJSJSJZJIUSVRW-UHFFFAOYSA-N |