(2S)-2-hydroxy-2-phenyl-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
Formula:C22H18N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S)-2-hydroxy-2-phenyl-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | (2S)-2-hydroxy-2-phenyl-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide |
| MolecularFormula | C22H18N4O2S |
| Smiles | O[C@H](C(N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1)=O)c1ccccc1 |
| InChI | InChI=1S/C22H18N4O2S/c27-21(16-8-3-1-4-9-16)22(28)24-23-14-17-15-26(18-10-5-2-6-11-18)25-20(17)19-12-7-13-29-19/h1-15,21,27H,(H,24,28)/t21-/m0/s1 |
| InChIK | JYFLTBYBRNBCFY-NRFANRHFSA-N |
| TotalMolweight | 402.477 |
| Molweight | 402.477 |
| MonoisotopicMass | 402.115046 |
| CLogP | 3.0721 |
| CLogS | -4.572 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 309.26 |
| Relative PSA | 0.28232 |
| PolarSurfaceArea | 107.75 |
| Druglikeness | 7.7512 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon | this enantiomer |
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