N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide
Chemical Structure Depiction of
N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide
N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide
Compound characteristics
| Compound ID: | V014-5709 |
| Compound Name: | N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide |
| Molecular Weight: | 480.47 |
| Molecular Formula: | C26 H22 F2 N2 O5 |
| Smiles: | CCC1C(N(Cc2ccc3c(c2)OCO3)Cc2cc(ccc2O1)NC(c1ccc(cc1F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7121 |
| logD: | 4.6993 |
| logSw: | -4.4293 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.982 |
| InChI Key: | IFTSIEASTFMTLO-OAQYLSRUSA-N |