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 |