(2S)-N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
Formula:C23H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S)-N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2-phenylacetamide is a drug-like molecule.
| MolName | (2S)-N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2-phenylacetamide |
| MolecularFormula | C23H19N3O3 |
| Smiles | N#Cc1c(COc2ccc(/C=N\NC([C@H](c3ccccc3)O)=O)cc2)cccc1 |
| InChI | InChI=1S/C23H19N3O3/c24-14-19-8-4-5-9-20(19)16-29-21-12-10-17(11-13-21)15-25-26-23(28)22(27)18-6-2-1-3-7-18/h1-13,15,22,27H,16H2,(H,26,28)/t22-/m0/s1 |
| InChIK | ZYWLJTTZSHLXIS-QFIPXVFZSA-N |
| TotalMolweight | 385.422 |
| Molweight | 385.422 |
| MonoisotopicMass | 385.142642 |
| CLogP | 3.3133 |
| CLogS | -5.252 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 311.07 |
| Relative PSA | 0.23361 |
| PolarSurfaceArea | 94.71 |
| Druglikeness | 0.57056 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
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1 - (2S)-N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2-phenylacetamide | 2 - (2S)-N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
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