3-[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-pyrrole-2,5-dione
Chemical Structure Depiction of
3-[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-pyrrole-2,5-dione
3-[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-pyrrole-2,5-dione
Compound characteristics
| Compound ID: | V011-4609 |
| Compound Name: | 3-[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-pyrrole-2,5-dione |
| Molecular Weight: | 495.94 |
| Molecular Formula: | C25 H23 Cl F N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1c(C2=C(C(N(C2=O)c2ccccc2F)=O)N2CCN(C)CC2)c(n(c2ccc(cc2)[Cl])n1)O |
| Stereo: | ACHIRAL |
| logP: | 2.3901 |
| logD: | 0.3606 |
| logSw: | -2.8213 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.276 |
| InChI Key: | MGDDHPWJKSPHDE-UHFFFAOYSA-N |