2-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
Formula:C21H15N4OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide |
| MolecularFormula | C21H15N4OFS |
| Smiles | O=C(c(cccc1)c1F)N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1 |
| InChI | InChI=1S/C21H15FN4OS/c22-18-10-5-4-9-17(18)21(27)24-23-13-15-14-26(16-7-2-1-3-8-16)25-20(15)19-11-6-12-28-19/h1-14H,(H,24,27) |
| InChIK | ZKUTUQGRBUSQEL-UHFFFAOYSA-N |
| TotalMolweight | 390.441 |
| Molweight | 390.441 |
| MonoisotopicMass | 390.095059 |
| CLogP | 4.2449 |
| CLogS | -5.469 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 296.76 |
| Relative PSA | 0.25007 |
| PolarSurfaceArea | 87.52 |
| Druglikeness | 5.8833 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide | 2 - 2-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
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