| MolName | (4R)-4-(3-fluorophenyl)-5-(4-fluorophenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one |
| MolecularFormula | C24H17N3OF2 |
| Smiles | Cc(cc1)ccc1-c1n[nH]c(C2=O)c1[C@@H](c1cccc(F)c1)N2c(cc1)ccc1F |
| InChI | InChI=1S/C24H17F2N3O/c1-14-5-7-15(8-6-14)21-20-22(28-27-21)24(30)29(19-11-9-17(25)10-12-19)23(20)16-3-2-4-18(26)13-16/h2-13,23H,1H3,(H,27,28)/t23-/m1/s1 |
| InChIK | YGPZMEPVHQSGGQ-HSZRJFAPSA-N |
| TotalMolweight | 401.415 |
| Molweight | 401.415 |
| MonoisotopicMass | 401.133968 |
| CLogP | 4.6899 |
| CLogS | -5.948 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 292.88 |
| Relative PSA | 0.14187 |
| PolarSurfaceArea | 48.99 |
| Druglikeness | 2.9445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | this enantiomer |
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1 - (4R)-4-(3-fluorophenyl)-5-(4-fluorophenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one | 2 - (4R)-4-(3-fluorophenyl)-5-(4-fluorophenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one