1-cyclohexyl-3-[1-(4-fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrole-2,5-dione
Chemical Structure Depiction of
1-cyclohexyl-3-[1-(4-fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrole-2,5-dione
1-cyclohexyl-3-[1-(4-fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrole-2,5-dione
Compound characteristics
| Compound ID: | V031-2853 |
| Compound Name: | 1-cyclohexyl-3-[1-(4-fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrole-2,5-dione |
| Molecular Weight: | 467.54 |
| Molecular Formula: | C25 H30 F N5 O3 |
| Smiles: | Cc1c(C2=C(C(N(C3CCCCC3)C2=O)=O)N2CCN(C)CC2)c(n(c2ccc(cc2)F)n1)O |
| Stereo: | ACHIRAL |
| logP: | 2.1962 |
| logD: | 0.5735 |
| logSw: | -2.238 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.41 |
| InChI Key: | LMPCWPIHXXNQHI-UHFFFAOYSA-N |