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-fluorophenyl)acetamide
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-fluorophenyl)acetamide
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-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | V028-6582 |
| 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-fluorophenyl)acetamide |
| Molecular Weight: | 476.5 |
| Molecular Formula: | C27 H25 F N2 O5 |
| Smiles: | CCC1C(N(Cc2ccc3c(c2)OCO3)Cc2cc(ccc2O1)NC(Cc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3259 |
| logD: | 4.3259 |
| logSw: | -4.3231 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.768 |
| InChI Key: | XLODPWOTNZNAQU-QFIPXVFZSA-N |