3-[cyclohexyl(methyl)amino]-4-[1-(3,4-dichlorophenyl)-3-ethyl-5-hydroxy-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-1H-pyrrole-2,5-dione
Chemical Structure Depiction of
3-[cyclohexyl(methyl)amino]-4-[1-(3,4-dichlorophenyl)-3-ethyl-5-hydroxy-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-1H-pyrrole-2,5-dione
3-[cyclohexyl(methyl)amino]-4-[1-(3,4-dichlorophenyl)-3-ethyl-5-hydroxy-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-1H-pyrrole-2,5-dione
Compound characteristics
| Compound ID: | V011-5457 |
| Compound Name: | 3-[cyclohexyl(methyl)amino]-4-[1-(3,4-dichlorophenyl)-3-ethyl-5-hydroxy-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-1H-pyrrole-2,5-dione |
| Molecular Weight: | 557.45 |
| Molecular Formula: | C28 H27 Cl2 F N4 O3 |
| Salt: | not_available |
| Smiles: | CCc1c(C2=C(C(N(C2=O)c2ccccc2F)=O)N(C)C2CCCCC2)c(n(c2ccc(c(c2)[Cl])[Cl])n1)O |
| Stereo: | ACHIRAL |
| logP: | 5.648 |
| logD: | 4.0358 |
| logSw: | -5.5382 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.042 |
| InChI Key: | MFRLOVZKQNQTQY-UHFFFAOYSA-N |