4-[1-benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
4-[1-benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-olate
4-[1-benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V011-5535 |
| Compound Name: | 4-[1-benzyl-4-(3,5-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-olate |
| Molecular Weight: | 498.97 |
| Molecular Formula: | C28 H23 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1cc(C)c[n+](c1)C1=C(C(N(Cc2ccccc2)C1=O)=O)c1c(C)nn(c2ccc(cc2)[Cl])c1[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.6658 |
| logD: | 4.6658 |
| logSw: | -4.7252 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.013 |
| InChI Key: | ICECXCABABUQDW-UHFFFAOYSA-N |