(2S)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
Formula:C24H20N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-2-phenylacetamide is a drug-like molecule.
| MolName | (2S)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-2-phenylacetamide |
| MolecularFormula | C24H20N3O2F |
| Smiles | O[C@H](C(N/N=C\c1cn(Cc(cc2)ccc2F)c2c1cccc2)=O)c1ccccc1 |
| InChI | InChI=1S/C24H20FN3O2/c25-20-12-10-17(11-13-20)15-28-16-19(21-8-4-5-9-22(21)28)14-26-27-24(30)23(29)18-6-2-1-3-7-18/h1-14,16,23,29H,15H2,(H,27,30)/t23-/m0/s1 |
| InChIK | UGYFWIPNAFFOMT-QHCPKHFHSA-N |
| TotalMolweight | 401.44 |
| Molweight | 401.44 |
| MonoisotopicMass | 401.153955 |
| CLogP | 3.7601 |
| CLogS | -4.43 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 309.51 |
| Relative PSA | 0.18087 |
| PolarSurfaceArea | 66.62 |
| Druglikeness | 5.2901 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (2S)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-2-phenylacetamide | 2 - (2S)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
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