(3S)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
Formula:C18H14N3O2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | (3S)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide |
| MolecularFormula | C18H14N3O2Cl2F |
| Smiles | O=C([C@@H](CC1=O)CN1c(cc1)ccc1F)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C18H14Cl2FN3O2/c19-13-2-1-11(16(20)8-13)9-22-23-18(26)12-7-17(25)24(10-12)15-5-3-14(21)4-6-15/h1-6,8-9,12H,7,10H2,(H,23,26)/t12-/m0/s1 |
| InChIK | RGWSUHBMGXKGMW-LBPRGKRZSA-N |
| TotalMolweight | 394.232 |
| Molweight | 394.232 |
| MonoisotopicMass | 393.044709 |
| CLogP | 3.9471 |
| CLogS | -5.833 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 278.75 |
| Relative PSA | 0.1887 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 6.2228 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - (3S)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide | 2 - (3S)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
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