1-(3,4-dichlorophenyl)-4-{1-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-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: | V011-5479 |
| Compound Name: | 1-(3,4-dichlorophenyl)-4-{1-[(4-fluorophenyl)methyl]-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: | 565.43 |
| Molecular Formula: | C29 H23 Cl2 F N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)c1c(C2=C(C(N(Cc3ccc(cc3)F)C2=O)=O)[n+]2cccc(C)c2)c(n(c2ccc(c(c2)[Cl])[Cl])n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 6.3551 |
| logD: | 6.3551 |
| logSw: | -5.8427 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.313 |
| InChI Key: | ULWRBXGHPDHXRQ-UHFFFAOYSA-N |