(2S)-N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
Formula:C24H19N4O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S)-N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-hydroxy-2-phenylacetamide is a drug-like molecule.
| MolName | (2S)-N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-hydroxy-2-phenylacetamide |
| MolecularFormula | C24H19N4O2F |
| Smiles | O[C@H](C(N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)=O)c1ccccc1 |
| InChI | InChI=1S/C24H19FN4O2/c25-20-13-11-17(12-14-20)22-19(16-29(28-22)21-9-5-2-6-10-21)15-26-27-24(31)23(30)18-7-3-1-4-8-18/h1-16,23,30H,(H,27,31)/t23-/m0/s1 |
| InChIK | FACAUOCVQURXES-QHCPKHFHSA-N |
| TotalMolweight | 414.439 |
| Molweight | 414.439 |
| MonoisotopicMass | 414.149204 |
| CLogP | 3.1494 |
| CLogS | -4.965 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 319.67 |
| Relative PSA | 0.20943 |
| PolarSurfaceArea | 79.51 |
| Druglikeness | 5.0781 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon | this enantiomer |
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