(5Z)-5-[(2E)-1-hydroxy-3-(4-methoxyphenyl)prop-2-en-1-ylidene]-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Chemical Structure Depiction of
(5Z)-5-[(2E)-1-hydroxy-3-(4-methoxyphenyl)prop-2-en-1-ylidene]-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
(5Z)-5-[(2E)-1-hydroxy-3-(4-methoxyphenyl)prop-2-en-1-ylidene]-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Compound characteristics
| Compound ID: | K273-0166 |
| Compound Name: | (5Z)-5-[(2E)-1-hydroxy-3-(4-methoxyphenyl)prop-2-en-1-ylidene]-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C23 H23 N O4 |
| Smiles: | CC12CC(\C(=C(/C=C/c3ccc(cc3)OC)O)C(N1C)=O)c1ccccc1O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8741 |
| logD: | 3.8741 |
| logSw: | -4.2513 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.051 |
| InChI Key: | MBVAUKGGLPANSV-IHHSRYSHSA-N |