(3R,4S)-2-oxo-4-phenyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide
Formula:C25H23N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R,4S)-2-oxo-4-phenyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | (3R,4S)-2-oxo-4-phenyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide |
| MolecularFormula | C25H23N3O3 |
| Smiles | O=C([C@H]([C@H](CN1)c2ccccc2)C1=O)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C25H23N3O3/c29-24-23(22(16-26-24)20-11-5-2-6-12-20)25(30)28-27-15-19-10-7-13-21(14-19)31-17-18-8-3-1-4-9-18/h1-15,22-23H,16-17H2,(H,26,29)(H,28,30)/t22-,23+/m0/s1 |
| InChIK | BZSALQJMFSEJEN-XZOQPEGZSA-N |
| TotalMolweight | 413.476 |
| Molweight | 413.476 |
| MonoisotopicMass | 413.173942 |
| CLogP | 3.9787 |
| CLogS | -5.138 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 324.98 |
| Relative PSA | 0.21697 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 6.6148 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - (3R,4S)-2-oxo-4-phenyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide | 2 - (3R,4S)-2-oxo-4-phenyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide
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