(5Z)-5-[(2E)-3-(4-ethoxy-3-methoxyphenyl)-1-hydroxyprop-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)-3-(4-ethoxy-3-methoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
(5Z)-5-[(2E)-3-(4-ethoxy-3-methoxyphenyl)-1-hydroxyprop-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: | C247-0040 |
| Compound Name: | (5Z)-5-[(2E)-3-(4-ethoxy-3-methoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one |
| Molecular Weight: | 421.49 |
| Molecular Formula: | C25 H27 N O5 |
| Smiles: | CCOc1ccc(/C=C/C(=C2\C3CC(C)(N(C)C2=O)Oc2ccccc23)O)cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9433 |
| logD: | 3.9433 |
| logSw: | -4.0996 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.348 |
| InChI Key: | VFDDAIZJNOTMLC-UHFFFAOYSA-N |