1-(3-chlorophenyl)-4-[1-cyclohexyl-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(3-chlorophenyl)-4-[1-cyclohexyl-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate
1-(3-chlorophenyl)-4-[1-cyclohexyl-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V010-2564 |
| Compound Name: | 1-(3-chlorophenyl)-4-[1-cyclohexyl-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate |
| Molecular Weight: | 462.94 |
| Molecular Formula: | C25 H23 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1c(C2=C(C(N(C3CCCCC3)C2=O)=O)[n+]2ccccc2)c(n(c2cccc(c2)[Cl])n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 3.3669 |
| logD: | 3.3669 |
| logSw: | -3.6141 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.448 |
| InChI Key: | XKLIJYYLYWKACL-UHFFFAOYSA-N |