(Z)-3-[(Z)-(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine
Formula:C20H12N3Br2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-[(Z)-(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-3-[(Z)-(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine |
| MolecularFormula | C20H12N3Br2FS2 |
| Smiles | Fc(cccc1)c1/N=C1\SC=C(c(s2)ccc2Br)N1/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C20H12Br2FN3S2/c21-14-6-2-1-5-13(14)11-24-26-17(18-9-10-19(22)28-18)12-27-20(26)25-16-8-4-3-7-15(16)23/h1-12H |
| InChIK | GQYOFQVVHQNKED-UHFFFAOYSA-N |
| TotalMolweight | 537.274 |
| Molweight | 537.274 |
| MonoisotopicMass | 534.882337 |
| CLogP | 6.9866 |
| CLogS | -7.643 |
| H Acceptors | 3 |
| TotalSurfaceArea | 319.06 |
| Relative PSA | 0.20191 |
| PolarSurfaceArea | 81.5 |
| Druglikeness | 0.2025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-3-[(Z)-(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine | 2 - (Z)-3-[(Z)-(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine
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