2-(4-chlorophenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
Formula:C22H17N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-chlorophenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide |
| MolecularFormula | C22H17N4OClS |
| Smiles | O=C(Cc(cc1)ccc1Cl)N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1 |
| InChI | InChI=1S/C22H17ClN4OS/c23-18-10-8-16(9-11-18)13-21(28)25-24-14-17-15-27(19-5-2-1-3-6-19)26-22(17)20-7-4-12-29-20/h1-12,14-15H,13H2,(H,25,28) |
| InChIK | SRLQMPYMPUIQAS-UHFFFAOYSA-N |
| TotalMolweight | 420.923 |
| Molweight | 420.923 |
| MonoisotopicMass | 420.081158 |
| CLogP | 4.7482 |
| CLogS | -5.856 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 319.59 |
| Relative PSA | 0.2322 |
| PolarSurfaceArea | 87.52 |
| Druglikeness | 7.236 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(4-chlorophenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide | 2 - 2-(4-chlorophenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
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