1-(4-chlorophenyl)-3-ethyl-4-[1-(4-methoxyphenyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(4-chlorophenyl)-3-ethyl-4-[1-(4-methoxyphenyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
1-(4-chlorophenyl)-3-ethyl-4-[1-(4-methoxyphenyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V009-2602 |
| Compound Name: | 1-(4-chlorophenyl)-3-ethyl-4-[1-(4-methoxyphenyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate |
| Molecular Weight: | 514.97 |
| Molecular Formula: | C28 H23 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCc1c(C2=C(C(N(C2=O)c2ccc(cc2)OC)=O)[n+]2cccc(C)c2)c(n(c2ccc(cc2)[Cl])n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.2582 |
| logD: | 4.2582 |
| logSw: | -4.6509 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.741 |
| InChI Key: | HULMYSMWFFLGCP-UHFFFAOYSA-N |