1-(4-chlorophenyl)-4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(4-chlorophenyl)-4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1H-pyrazol-5-olate
1-(4-chlorophenyl)-4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V013-9301 |
| Compound Name: | 1-(4-chlorophenyl)-4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1H-pyrazol-5-olate |
| Molecular Weight: | 480.95 |
| Molecular Formula: | C25 H25 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCc1c(C2=C(C(N(CCOC)C2=O)=O)[n+]2cc(C)cc(C)c2)c(n(c2ccc(cc2)[Cl])n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 3.5999 |
| logD: | 3.5999 |
| logSw: | -4.0164 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.294 |
| InChI Key: | WAJLKKSXKMWKOK-UHFFFAOYSA-N |