1-(3-chlorophenyl)-4-{1-[(4-fluorophenyl)methyl]-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}-3-propyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(3-chlorophenyl)-4-{1-[(4-fluorophenyl)methyl]-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}-3-propyl-1H-pyrazol-5-olate
1-(3-chlorophenyl)-4-{1-[(4-fluorophenyl)methyl]-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}-3-propyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V014-2155 |
| Compound Name: | 1-(3-chlorophenyl)-4-{1-[(4-fluorophenyl)methyl]-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}-3-propyl-1H-pyrazol-5-olate |
| Molecular Weight: | 530.99 |
| Molecular Formula: | C29 H24 Cl F N4 O3 |
| Salt: | not_available |
| Smiles: | CCCc1c(C2=C(C(N(Cc3ccc(cc3)F)C2=O)=O)[n+]2cccc(C)c2)c(n(c2cccc(c2)[Cl])n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 5.337 |
| logD: | 5.337 |
| logSw: | -5.5387 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.809 |
| InChI Key: | REDVYKAJERSSEE-UHFFFAOYSA-N |