N-{4-[(3,5-difluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
N-{4-[(3,5-difluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide
N-{4-[(3,5-difluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | V017-4607 |
| Compound Name: | N-{4-[(3,5-difluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 452.46 |
| Molecular Formula: | C25 H22 F2 N2 O4 |
| Smiles: | COc1cccc(CC(Nc2ccc3c(CN(Cc4cc(cc(c4)F)F)C(CO3)=O)c2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.524 |
| logD: | 3.524 |
| logSw: | -3.7123 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.999 |
| InChI Key: | KDJWQZVPJJRHBX-UHFFFAOYSA-N |