(Z)-4-(5-bromothiophen-2-yl)-3-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-difluorophenyl)-1,3-thiazol-2-imine
Formula:C21H12N3OBrF4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(5-bromothiophen-2-yl)-3-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-difluorophenyl)-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-4-(5-bromothiophen-2-yl)-3-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-difluorophenyl)-1,3-thiazol-2-imine |
| MolecularFormula | C21H12N3OBrF4S2 |
| Smiles | FC(Oc1ccc(/C=N\N(C(c(s2)ccc2Br)=CS2)/C2=N/c(ccc(F)c2)c2F)cc1)F |
| InChI | InChI=1S/C21H12BrF4N3OS2/c22-19-8-7-18(32-19)17-11-31-21(28-16-6-3-13(23)9-15(16)24)29(17)27-10-12-1-4-14(5-2-12)30-20(25)26/h1-11,20H |
| InChIK | GOUNJQCRPBHVPK-UHFFFAOYSA-N |
| TotalMolweight | 542.374 |
| Molweight | 542.374 |
| MonoisotopicMass | 540.954125 |
| CLogP | 6.5316 |
| CLogS | -7.745 |
| H Acceptors | 4 |
| TotalSurfaceArea | 341.98 |
| Relative PSA | 0.21762 |
| PolarSurfaceArea | 90.73 |
| Druglikeness | -1.4251 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-4-(5-bromothiophen-2-yl)-3-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-difluorophenyl)-1,3-thiazol-2-imine | 2 - (Z)-4-(5-bromothiophen-2-yl)-3-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-difluorophenyl)-1,3-thiazol-2-imine
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