1-(3-chlorophenyl)-3-ethyl-4-[1-(2-methoxyethyl)-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-(3-chlorophenyl)-3-ethyl-4-[1-(2-methoxyethyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
1-(3-chlorophenyl)-3-ethyl-4-[1-(2-methoxyethyl)-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: | V009-0728 |
| Compound Name: | 1-(3-chlorophenyl)-3-ethyl-4-[1-(2-methoxyethyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate |
| Molecular Weight: | 466.92 |
| Molecular Formula: | C24 H23 Cl N4 O4 |
| Smiles: | CCc1c(C2=C(C(N(CCOC)C2=O)=O)[n+]2cccc(C)c2)c(n(c2cccc(c2)[Cl])n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 3.003 |
| logD: | 3.003 |
| logSw: | -3.2117 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.401 |
| InChI Key: | VVAWTKSTFNBHCO-UHFFFAOYSA-N |