4-[1-benzyl-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-1-(3-chlorophenyl)-3-propyl-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]-1-(3-chlorophenyl)-3-propyl-1H-pyrazol-5-olate
4-[1-benzyl-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-1-(3-chlorophenyl)-3-propyl-1H-pyrazol-5-olate
Compound characteristics
Compound ID: | V014-5797 |
Compound Name: | 4-[1-benzyl-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-1-(3-chlorophenyl)-3-propyl-1H-pyrazol-5-olate |
Molecular Weight: | 498.97 |
Molecular Formula: | C28 H23 Cl N4 O3 |
Salt: | not_available |
Smiles: | CCCc1c(C2=C(C(N(Cc3ccccc3)C2=O)=O)[n+]2ccccc2)c(n(c2cccc(c2)[Cl])n1)[O-] |
Stereo: | ACHIRAL |
logP: | 4.6008 |
logD: | 4.6008 |
logSw: | -4.5653 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 62.916 |
InChI Key: | SLPOLDMGYCEVNK-UHFFFAOYSA-N |