(3S)-5-oxo-1-phenyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrrolidine-3-carboxamide
Formula:C19H16N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S)-5-oxo-1-phenyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | (3S)-5-oxo-1-phenyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrrolidine-3-carboxamide |
| MolecularFormula | C19H16N3O2F3 |
| Smiles | O=C([C@@H](CC1=O)CN1c1ccccc1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C19H16F3N3O2/c20-19(21,22)15-8-6-13(7-9-15)11-23-24-18(27)14-10-17(26)25(12-14)16-4-2-1-3-5-16/h1-9,11,14H,10,12H2,(H,24,27)/t14-/m0/s1 |
| InChIK | IGUDPUDEGXPCQX-AWEZNQCLSA-N |
| TotalMolweight | 375.349 |
| Molweight | 375.349 |
| MonoisotopicMass | 375.119461 |
| CLogP | 3.4826 |
| CLogS | -4.825 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 271.02 |
| Relative PSA | 0.19408 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 0.35645 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - (3S)-5-oxo-1-phenyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrrolidine-3-carboxamide | 2 - (3S)-5-oxo-1-phenyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrrolidine-3-carboxamide
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