(3S)-N-[(Z)-(4-bromophenyl)methylideneamino]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
Formula:C18H15N3O2BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S)-N-[(Z)-(4-bromophenyl)methylideneamino]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | (3S)-N-[(Z)-(4-bromophenyl)methylideneamino]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide |
| MolecularFormula | C18H15N3O2BrF |
| Smiles | O=C([C@@H](CC1=O)CN1c(cc1)ccc1F)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C18H15BrFN3O2/c19-14-3-1-12(2-4-14)10-21-22-18(25)13-9-17(24)23(11-13)16-7-5-15(20)6-8-16/h1-8,10,13H,9,11H2,(H,22,25)/t13-/m0/s1 |
| InChIK | JWHFFZJCXMPWLQ-ZDUSSCGKSA-N |
| TotalMolweight | 404.238 |
| Molweight | 404.238 |
| MonoisotopicMass | 403.033166 |
| CLogP | 3.4603 |
| CLogS | -5.195 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 266.54 |
| Relative PSA | 0.19734 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 4.4165 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - (3S)-N-[(Z)-(4-bromophenyl)methylideneamino]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide | 2 - (3S)-N-[(Z)-(4-bromophenyl)methylideneamino]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
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