4-[1-benzyl-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-phenyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
4-[1-benzyl-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-phenyl-1H-pyrazol-5-olate
4-[1-benzyl-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-phenyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V010-2575 |
| Compound Name: | 4-[1-benzyl-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-phenyl-1H-pyrazol-5-olate |
| Molecular Weight: | 450.5 |
| Molecular Formula: | C27 H22 N4 O3 |
| Salt: | not_available |
| Smiles: | CCc1c(C2=C(C(N(Cc3ccccc3)C2=O)=O)[n+]2ccccc2)c(n(c2ccccc2)n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 3.3209 |
| logD: | 3.3209 |
| logSw: | -3.3793 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.916 |
| InChI Key: | JUQATWHYOKSZSV-UHFFFAOYSA-N |