4-[1-cyclohexyl-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
4-[1-cyclohexyl-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-olate
4-[1-cyclohexyl-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V010-2546 |
| Compound Name: | 4-[1-cyclohexyl-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-olate |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C28 H29 F N4 O3 |
| Salt: | not_available |
| Smiles: | CCCc1c(C2=C(C(N(C3CCCCC3)C2=O)=O)[n+]2cccc(C)c2)c(n(c2ccc(cc2)F)n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.7077 |
| logD: | 4.7077 |
| logSw: | -4.3098 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.03 |
| InChI Key: | QPLYMSULVXJTFJ-UHFFFAOYSA-N |