(Z)-4-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-3-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
Formula:C25H15N3OClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-3-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-4-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-3-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C25H15N3OClF3S |
| Smiles | FC(c1cccc(/C=N\N(C(c2cc(cccc3)c3o2)=CS2)/C2=N/c(cc2)ccc2Cl)c1)(F)F |
| InChI | InChI=1S/C25H15ClF3N3OS/c26-19-8-10-20(11-9-19)31-24-32(30-14-16-4-3-6-18(12-16)25(27,28)29)21(15-34-24)23-13-17-5-1-2-7-22(17)33-23/h1-15H |
| InChIK | FPMPIMDVJKUNFS-UHFFFAOYSA-N |
| TotalMolweight | 497.927 |
| Molweight | 497.927 |
| MonoisotopicMass | 497.057643 |
| CLogP | 7.324 |
| CLogS | -8.331 |
| H Acceptors | 4 |
| TotalSurfaceArea | 348.68 |
| Relative PSA | 0.16683 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | -3.2908 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (Z)-4-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-3-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-4-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-3-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
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