1-(4-chlorophenyl)-4-[1-(2-methylpropyl)-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-propyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(4-chlorophenyl)-4-[1-(2-methylpropyl)-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-propyl-1H-pyrazol-5-olate
1-(4-chlorophenyl)-4-[1-(2-methylpropyl)-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-propyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V014-4230 |
| Compound Name: | 1-(4-chlorophenyl)-4-[1-(2-methylpropyl)-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-propyl-1H-pyrazol-5-olate |
| Molecular Weight: | 464.95 |
| Molecular Formula: | C25 H25 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | CCCc1c(C2=C(C(N(CC(C)C)C2=O)=O)[n+]2ccccc2)c(n(c2ccc(cc2)[Cl])n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.2004 |
| logD: | 4.2004 |
| logSw: | -4.5302 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.187 |
| InChI Key: | HNAWLAROSHOBDG-UHFFFAOYSA-N |