N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetamide
Compound characteristics
| Compound ID: | L831-0075 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetamide |
| Molecular Weight: | 354.36 |
| Molecular Formula: | C19 H18 N2 O5 |
| Smiles: | C(C1COc2ccccc2NC1=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0446 |
| logD: | 2.0444 |
| logSw: | -2.8275 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.212 |
| InChI Key: | DWQASKRMZHBNNO-ZDUSSCGKSA-N |