(8-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetic acid
Chemical Structure Depiction of
(8-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetic acid
(8-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetic acid
Compound characteristics
| Compound ID: | FF50-0252 |
| Compound Name: | (8-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetic acid |
| Molecular Weight: | 235.24 |
| Molecular Formula: | C12 H13 N O4 |
| Smiles: | Cc1ccc2c(c1)OCC(CC(O)=O)C(N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6491 |
| logD: | -2.2623 |
| logSw: | -1.7394 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.28 |
| InChI Key: | NSSYUVSGDJWRML-QMMMGPOBSA-N |