| MolName | (2S)-2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-2H-pyrrol-5-one |
| MolecularFormula | C24H21N2OF |
| Smiles | Cc(cc1)ccc1NC(C1=O)=C[C@@H](c(cc2)ccc2F)N1c1ccc(C)cc1 |
| InChI | InChI=1S/C24H21FN2O/c1-16-3-11-20(12-4-16)26-22-15-23(18-7-9-19(25)10-8-18)27(24(22)28)21-13-5-17(2)6-14-21/h3-15,23,26H,1-2H3/t23-/m0/s1 |
| InChIK | MSAKKWXGDVHYGM-QHCPKHFHSA-N |
| TotalMolweight | 372.442 |
| Molweight | 372.442 |
| MonoisotopicMass | 372.163791 |
| CLogP | 4.7764 |
| CLogS | -5.618 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 286.87 |
| Relative PSA | 0.097779 |
| PolarSurfaceArea | 32.34 |
| Druglikeness | 1.8205 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2S)-2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-2H-pyrrol-5-one | 2 - (2S)-2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-2H-pyrrol-5-one