(10Z)-10-[(2E)-3-(4-chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-12-methyl-2,3,9,9a-tetrahydro-1H-3a,9-(epiminoethano)benzo[b]cyclopenta[e]pyran-11-one
Chemical Structure Depiction of
(10Z)-10-[(2E)-3-(4-chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-12-methyl-2,3,9,9a-tetrahydro-1H-3a,9-(epiminoethano)benzo[b]cyclopenta[e]pyran-11-one
(10Z)-10-[(2E)-3-(4-chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-12-methyl-2,3,9,9a-tetrahydro-1H-3a,9-(epiminoethano)benzo[b]cyclopenta[e]pyran-11-one
Compound characteristics
| Compound ID: | K273-0169 |
| Compound Name: | (10Z)-10-[(2E)-3-(4-chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-12-methyl-2,3,9,9a-tetrahydro-1H-3a,9-(epiminoethano)benzo[b]cyclopenta[e]pyran-11-one |
| Molecular Weight: | 407.9 |
| Molecular Formula: | C24 H22 Cl N O3 |
| Smiles: | CN1C(C(/C2C3CCCC13Oc1ccccc12)=C(/C=C/c1ccc(cc1)[Cl])O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8139 |
| logD: | 4.8139 |
| logSw: | -5.0034 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.155 |
| InChI Key: | GPAVDNTZJUBJBU-UHFFFAOYSA-N |