3-benzyl-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylic acid
Chemical Structure Depiction of
3-benzyl-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylic acid
3-benzyl-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylic acid
Compound characteristics
| Compound ID: | 8018-1156 |
| Compound Name: | 3-benzyl-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylic acid |
| Molecular Weight: | 337.37 |
| Molecular Formula: | C20 H19 N O4 |
| Smiles: | CC12CC(C(C(O)=O)C(N1Cc1ccccc1)=O)c1ccccc1O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7014 |
| logD: | -1.2656 |
| logSw: | -3.0851 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.132 |
| InChI Key: | ACHKSQKUNCACKU-UHFFFAOYSA-N |