1-(3,4-dichlorophenyl)-4-[1-(2-methoxyethyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-(propan-2-yl)-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(3,4-dichlorophenyl)-4-[1-(2-methoxyethyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-(propan-2-yl)-1H-pyrazol-5-olate
1-(3,4-dichlorophenyl)-4-[1-(2-methoxyethyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-(propan-2-yl)-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V009-2569 |
| Compound Name: | 1-(3,4-dichlorophenyl)-4-[1-(2-methoxyethyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-(propan-2-yl)-1H-pyrazol-5-olate |
| Molecular Weight: | 515.4 |
| Molecular Formula: | C25 H24 Cl2 N4 O4 |
| Salt: | not_available |
| Smiles: | CC(C)c1c(C2=C(C(N(CCOC)C2=O)=O)[n+]2cccc(C)c2)c(n(c2ccc(c(c2)[Cl])[Cl])n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.5449 |
| logD: | 4.5449 |
| logSw: | -4.3391 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.906 |
| InChI Key: | NKAZCFPIVMBOCV-UHFFFAOYSA-N |