N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C23H18N5OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C23H18N5OF3S |
| Smiles | O=C(CNc1cc(C(F)(F)F)ccc1)N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1 |
| InChI | InChI=1S/C23H18F3N5OS/c24-23(25,26)17-6-4-7-18(12-17)27-14-21(32)29-28-13-16-15-31(19-8-2-1-3-9-19)30-22(16)20-10-5-11-33-20/h1-13,15,27H,14H2,(H,29,32) |
| InChIK | MQLGVUICJLZEGI-UHFFFAOYSA-N |
| TotalMolweight | 469.49 |
| Molweight | 469.49 |
| MonoisotopicMass | 469.118414 |
| CLogP | 4.2843 |
| CLogS | -5.755 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 345.09 |
| Relative PSA | 0.24825 |
| PolarSurfaceArea | 99.55 |
| Druglikeness | 0.55105 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
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