3-[(furan-2-yl)methyl]-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylic acid
Chemical Structure Depiction of
3-[(furan-2-yl)methyl]-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylic acid
3-[(furan-2-yl)methyl]-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylic acid
Compound characteristics
| Compound ID: | 8018-1080 |
| Compound Name: | 3-[(furan-2-yl)methyl]-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylic acid |
| Molecular Weight: | 327.33 |
| Molecular Formula: | C18 H17 N O5 |
| Smiles: | CC12CC(C(C(O)=O)C(N1Cc1ccco1)=O)c1ccccc1O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9549 |
| logD: | -2.0122 |
| logSw: | -2.7979 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.88 |
| InChI Key: | NGQBUEJDJHEHMY-UHFFFAOYSA-N |