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-(propan-2-yl)-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-(propan-2-yl)-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-(propan-2-yl)-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V011-4486 |
| 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-(propan-2-yl)-1H-pyrazol-5-olate |
| Molecular Weight: | 501.37 |
| Molecular Formula: | C24 H22 Cl2 N4 O4 |
| Salt: | not_available |
| Smiles: | CC(C)c1c(C2=C(C(N(CCOC)C2=O)=O)[n+]2ccccc2)c(n(c2ccc(c(c2)[Cl])[Cl])n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 3.8378 |
| logD: | 3.8378 |
| logSw: | -3.9587 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.013 |
| InChI Key: | YFRSAMURJIELGV-UHFFFAOYSA-N |