N-{4-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
N-{4-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide
N-{4-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | V028-8319 |
| Compound Name: | N-{4-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide |
| Molecular Weight: | 478.52 |
| Molecular Formula: | C27 H27 F N2 O5 |
| Smiles: | CC1C(N(Cc2ccc(cc2OC)OC)Cc2cc(ccc2O1)NC(Cc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0367 |
| logD: | 4.0367 |
| logSw: | -4.2874 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.633 |
| InChI Key: | XEXQUDVRBOPTCS-QGZVFWFLSA-N |