methyl (4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetate
Chemical Structure Depiction of
methyl (4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetate
methyl (4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetate
Compound characteristics
| Compound ID: | Y021-0941 |
| Compound Name: | methyl (4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetate |
| Molecular Weight: | 235.24 |
| Molecular Formula: | C12 H13 N O4 |
| Smiles: | COC(CC1COc2ccccc2NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2659 |
| logD: | 1.2658 |
| logSw: | -1.804 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.475 |
| InChI Key: | LXYQYRHUAUEDDG-QMMMGPOBSA-N |