N-{4-[(3,5-difluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide
Chemical Structure Depiction of
N-{4-[(3,5-difluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide
N-{4-[(3,5-difluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide
Compound characteristics
Compound ID: | V003-3526 |
Compound Name: | N-{4-[(3,5-difluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide |
Molecular Weight: | 464.51 |
Molecular Formula: | C27 H26 F2 N2 O3 |
Smiles: | CCC(C(Nc1ccc2c(CN(Cc3cc(cc(c3)F)F)C(C(C)O2)=O)c1)=O)c1ccccc1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.1625 |
logD: | 5.1625 |
logSw: | -4.9672 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.672 |
InChI Key: | BFSIPMUUNPZKHJ-UHFFFAOYSA-N |