4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-phenyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-phenyl-1H-pyrazol-5-olate
4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-phenyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V011-5488 |
| Compound Name: | 4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-phenyl-1H-pyrazol-5-olate |
| Molecular Weight: | 494.55 |
| Molecular Formula: | C29 H26 N4 O4 |
| Salt: | not_available |
| Smiles: | CCc1c(C2=C(C(N(C2=O)c2ccc(cc2)OC)=O)[n+]2cc(C)cc(C)c2)c(n(c2ccccc2)n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.1786 |
| logD: | 4.1786 |
| logSw: | -4.1112 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.634 |
| InChI Key: | HYXFPMDGCFYHEO-UHFFFAOYSA-N |