N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide
N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide
Compound characteristics
Compound ID: | V016-8407 |
Compound Name: | N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide |
Molecular Weight: | 464.49 |
Molecular Formula: | C26 H25 F N2 O5 |
Smiles: | COc1cccc(CN2Cc3cc(ccc3OCC2=O)NC(Cc2ccc(cc2)F)=O)c1OC |
Stereo: | ACHIRAL |
logP: | 3.1969 |
logD: | 3.1969 |
logSw: | -3.3465 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.802 |
InChI Key: | GDQWNGWYYNKUCW-UHFFFAOYSA-N |