4-[1-cyclohexyl-4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
4-[1-cyclohexyl-4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate
4-[1-cyclohexyl-4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V012-1424 |
| Compound Name: | 4-[1-cyclohexyl-4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C26 H25 F N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1cc[n+](cc1)C1=C(C(N(C2CCCCC2)C1=O)=O)c1c(C)nn(c2ccc(cc2)F)c1[O-] |
| Stereo: | ACHIRAL |
| logP: | 3.1472 |
| logD: | 3.1472 |
| logSw: | -2.9962 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.448 |
| InChI Key: | ONXBLVQFWSJJTG-UHFFFAOYSA-N |