(11Z)-11-[(2E)-3-(4-chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one
Chemical Structure Depiction of
(11Z)-11-[(2E)-3-(4-chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one
(11Z)-11-[(2E)-3-(4-chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one
Compound characteristics
| Compound ID: | K273-0174 |
| Compound Name: | (11Z)-11-[(2E)-3-(4-chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one |
| Molecular Weight: | 407.9 |
| Molecular Formula: | C24 H22 Cl N O3 |
| Smiles: | C1CCC23C(C1)C(\C(=C(/C=C/c1ccc(cc1)[Cl])O)C(N2)=O)c1ccccc1O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.088 |
| logD: | 5.0878 |
| logSw: | -5.4016 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.107 |
| InChI Key: | JVJWLARJLKCNHI-UHFFFAOYSA-N |