1-(3-chlorophenyl)-4-{4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-3-yl}-3-propyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(3-chlorophenyl)-4-{4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-3-yl}-3-propyl-1H-pyrazol-5-olate
1-(3-chlorophenyl)-4-{4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-3-yl}-3-propyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V014-3795 |
| Compound Name: | 1-(3-chlorophenyl)-4-{4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-3-yl}-3-propyl-1H-pyrazol-5-olate |
| Molecular Weight: | 506.99 |
| Molecular Formula: | C27 H27 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCCc1c(C2=C(C(N(CC3CCCO3)C2=O)=O)[n+]2cccc(C)c2)c(n(c2cccc(c2)[Cl])n1)[O-] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7507 |
| logD: | 3.7507 |
| logSw: | -4.1706 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.463 |
| InChI Key: | BROQZNQUJNYFOT-HXUWFJFHSA-N |