5-[(3-fluorophenyl)methoxy]-2-{[4-(octadeca-6,9,12-trienoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3-fluorophenyl)methoxy]-2-{[4-(octadeca-6,9,12-trienoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
5-[(3-fluorophenyl)methoxy]-2-{[4-(octadeca-6,9,12-trienoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-6220 |
| Compound Name: | 5-[(3-fluorophenyl)methoxy]-2-{[4-(octadeca-6,9,12-trienoyl)piperazin-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 578.77 |
| Molecular Formula: | C35 H47 F N2 O4 |
| Salt: | not_available |
| Smiles: | CCCCC\C=C/C\C=C/C/C=C\CCCCC(N1CCN(CC1)CC1=CC(C(=CO1)OCc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.7944 |
| logD: | 7.7936 |
| logSw: | -5.5724 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.083 |
| InChI Key: | XECTXXBGVRRDJX-UHFFFAOYSA-N |