(Z)-4-(1-benzofuran-2-yl)-N-(4-fluorophenyl)-3-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine
Formula:C24H15N3OF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(1-benzofuran-2-yl)-N-(4-fluorophenyl)-3-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-4-(1-benzofuran-2-yl)-N-(4-fluorophenyl)-3-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C24H15N3OF2S |
| Smiles | Fc1ccc(/C=N\N(C(c2cc(cccc3)c3o2)=CS2)/C2=N/c(cc2)ccc2F)cc1 |
| InChI | InChI=1S/C24H15F2N3OS/c25-18-7-5-16(6-8-18)14-27-29-21(23-13-17-3-1-2-4-22(17)30-23)15-31-24(29)28-20-11-9-19(26)10-12-20/h1-15H |
| InChIK | AVZJUNQHESNZDR-UHFFFAOYSA-N |
| TotalMolweight | 431.465 |
| Molweight | 431.465 |
| MonoisotopicMass | 431.090388 |
| CLogP | 6.0713 |
| CLogS | -7.445 |
| H Acceptors | 4 |
| TotalSurfaceArea | 316.5 |
| Relative PSA | 0.18379 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | 2.5155 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (Z)-4-(1-benzofuran-2-yl)-N-(4-fluorophenyl)-3-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-4-(1-benzofuran-2-yl)-N-(4-fluorophenyl)-3-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine
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