(Z)-1-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)-N-[(Z)-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanimine
Formula:C28H20N6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)-N-[(Z)-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanimine is not a drug-like molecule.
| MolName | (Z)-1-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)-N-[(Z)-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanimine |
| MolecularFormula | C28H20N6S2 |
| Smiles | C(c1cn(-c2cccs2)nc1-c1ccccc1)=N\N=C/c1cn(-c2cccs2)nc1-c1ccccc1 |
| InChI | InChI=1S/C28H20N6S2/c1-3-9-21(10-4-1)27-23(19-33(31-27)25-13-7-15-35-25)17-29-30-18-24-20-34(26-14-8-16-36-26)32-28(24)22-11-5-2-6-12-22/h1-20H |
| InChIK | KKCFZYFTALWJFB-UHFFFAOYSA-N |
| TotalMolweight | 504.641 |
| Molweight | 504.641 |
| MonoisotopicMass | 504.119084 |
| CLogP | 6.8946 |
| CLogS | -8.362 |
| H Acceptors | 6 |
| TotalSurfaceArea | 389.38 |
| Relative PSA | 0.25533 |
| PolarSurfaceArea | 116.84 |
| Druglikeness | 4.395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 32 |
| Symmetricatoms | 20 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - (Z)-1-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)-N-[(Z)-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanimine | 2 - (Z)-1-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)-N-[(Z)-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanimine
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