N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide
N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide
Compound characteristics
Compound ID: | V017-4558 |
Compound Name: | N-{4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide |
Molecular Weight: | 448.49 |
Molecular Formula: | C26 H25 F N2 O4 |
Smiles: | COc1cccc(CC(Nc2ccc3c(CN(CCc4ccc(cc4)F)C(CO3)=O)c2)=O)c1 |
Stereo: | ACHIRAL |
logP: | 3.4473 |
logD: | 3.4473 |
logSw: | -3.7308 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.977 |
InChI Key: | OHLANDVZGHAGAS-UHFFFAOYSA-N |