(5Z)-5-[(2E)-3-(4-ethoxy-3-methoxyphenyl)-1-hydroxyprop-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)-3-(4-ethoxy-3-methoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]-2-methyl-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-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Compound characteristics
| Compound ID: | C247-0018 |
| Compound Name: | (5Z)-5-[(2E)-3-(4-ethoxy-3-methoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C24 H25 N O5 |
| Smiles: | CCOc1ccc(/C=C/C(=C2\C3CC(C)(NC2=O)Oc2ccccc23)O)cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7215 |
| logD: | 3.7212 |
| logSw: | -4.1516 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.113 |
| InChI Key: | KVAQMYGBORMBRI-UHFFFAOYSA-N |