(5Z)-5-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Chemical Structure Depiction of
(5Z)-5-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
(5Z)-5-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Compound characteristics
| Compound ID: | C247-0001 |
| Compound Name: | (5Z)-5-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one |
| Molecular Weight: | 333.39 |
| Molecular Formula: | C21 H19 N O3 |
| Smiles: | CC12CC(\C(=C(/C=C/c3ccccc3)O)C(N1)=O)c1ccccc1O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6742 |
| logD: | 3.6739 |
| logSw: | -4.0831 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.272 |
| InChI Key: | FQKKEJFOEJMLRT-UHFFFAOYSA-N |