(3S)-1-(4-fluorophenyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide
Formula:C22H18N3O2F
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(3S)-1-(4-fluorophenyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | (3S)-1-(4-fluorophenyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide |
| MolecularFormula | C22H18N3O2F |
| Smiles | O=C([C@@H](CC1=O)CN1c(cc1)ccc1F)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C22H18FN3O2/c23-18-8-10-19(11-9-18)26-14-17(12-21(26)27)22(28)25-24-13-16-6-3-5-15-4-1-2-7-20(15)16/h1-11,13,17H,12,14H2,(H,25,28)/t17-/m1/s1 |
| InChIK | YTOZJVVCQPPNFS-QGZVFWFLSA-N |
| TotalMolweight | 375.402 |
| Molweight | 375.402 |
| MonoisotopicMass | 375.138305 |
| CLogP | 3.9295 |
| CLogS | -5.967 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 282.51 |
| Relative PSA | 0.18619 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 6.2065 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - (3S)-1-(4-fluorophenyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide | 2 - (3S)-1-(4-fluorophenyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide
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