1-(3,4-dichlorophenyl)-4-[1-(2-methoxyethyl)-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(3,4-dichlorophenyl)-4-[1-(2-methoxyethyl)-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate
1-(3,4-dichlorophenyl)-4-[1-(2-methoxyethyl)-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V013-9350 |
| Compound Name: | 1-(3,4-dichlorophenyl)-4-[1-(2-methoxyethyl)-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate |
| Molecular Weight: | 473.31 |
| Molecular Formula: | C22 H18 Cl2 N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1c(C2=C(C(N(CCOC)C2=O)=O)[n+]2ccccc2)c(n(c2ccc(c(c2)[Cl])[Cl])n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 2.2801 |
| logD: | 2.2801 |
| logSw: | -2.8177 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.819 |
| InChI Key: | BCURJHFJQLREIZ-UHFFFAOYSA-N |