1-(3-chlorophenyl)-4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-propyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(3-chlorophenyl)-4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-propyl-1H-pyrazol-5-olate
1-(3-chlorophenyl)-4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-propyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V009-2909 |
| Compound Name: | 1-(3-chlorophenyl)-4-[4-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-propyl-1H-pyrazol-5-olate |
| Molecular Weight: | 494.98 |
| Molecular Formula: | C26 H27 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCCc1c(C2=C(C(N(CCOC)C2=O)=O)[n+]2cc(C)cc(C)c2)c(n(c2cccc(c2)[Cl])n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.1635 |
| logD: | 4.1635 |
| logSw: | -4.3174 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.294 |
| InChI Key: | BVCQMLXDFIDNCP-UHFFFAOYSA-N |