(5Z)-8-bromo-5-[(2E)-3-(3,4-dimethoxyphenyl)-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)-8-bromo-5-[(2E)-3-(3,4-dimethoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
(5Z)-8-bromo-5-[(2E)-3-(3,4-dimethoxyphenyl)-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: | K273-0154 |
| Compound Name: | (5Z)-8-bromo-5-[(2E)-3-(3,4-dimethoxyphenyl)-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: | 486.36 |
| Molecular Formula: | C24 H24 Br N O5 |
| Smiles: | CC12CC(\C(=C(/C=C/c3ccc(c(c3)OC)OC)O)C(N1C)=O)c1cc(ccc1O2)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3815 |
| logD: | 4.3815 |
| logSw: | -4.4311 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.768 |
| InChI Key: | DVYUIJFKVZVBSO-UHFFFAOYSA-N |