1-(3-chlorophenyl)-4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-(propan-2-yl)-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(3-chlorophenyl)-4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-(propan-2-yl)-1H-pyrazol-5-olate
1-(3-chlorophenyl)-4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-(propan-2-yl)-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V026-8274 |
| Compound Name: | 1-(3-chlorophenyl)-4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-(propan-2-yl)-1H-pyrazol-5-olate |
| Molecular Weight: | 493.01 |
| Molecular Formula: | C27 H29 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(C(=C(C1=O)[n+]1ccc(C)c(C)c1)c1c(C(C)C)nn(c2cccc(c2)[Cl])c1[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7959 |
| logD: | 5.7959 |
| logSw: | -5.6389 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.585 |
| InChI Key: | IMFPOKGQGVJHJC-UHFFFAOYSA-N |