4-[1-cyclohexyl-4-(3-ethylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1-phenyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
4-[1-cyclohexyl-4-(3-ethylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1-phenyl-1H-pyrazol-5-olate
4-[1-cyclohexyl-4-(3-ethylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1-phenyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V029-5254 |
| Compound Name: | 4-[1-cyclohexyl-4-(3-ethylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1-phenyl-1H-pyrazol-5-olate |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C27 H28 N4 O3 |
| Salt: | not_available |
| Smiles: | CCc1ccc[n+](c1)C1=C(C(N(C2CCCCC2)C1=O)=O)c1c(C)nn(c2ccccc2)c1[O-] |
| Stereo: | ACHIRAL |
| logP: | 3.7758 |
| logD: | 3.7758 |
| logSw: | -3.8743 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.341 |
| InChI Key: | MVAOPVFAXKIBPQ-UHFFFAOYSA-N |