(E)-3-(2-benzoyl-4-chloroanilino)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Formula:C25H15N3OClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-benzoyl-4-chloroanilino)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(2-benzoyl-4-chloroanilino)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| MolecularFormula | C25H15N3OClFS |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2F)cs1)=C\Nc(ccc(Cl)c1)c1C(c1ccccc1)=O |
| InChI | InChI=1S/C25H15ClFN3OS/c26-19-8-11-22(21(12-19)24(31)17-4-2-1-3-5-17)29-14-18(13-28)25-30-23(15-32-25)16-6-9-20(27)10-7-16/h1-12,14-15,29H |
| InChIK | XDGWJCSBJDXKDZ-UHFFFAOYSA-N |
| TotalMolweight | 459.931 |
| Molweight | 459.931 |
| MonoisotopicMass | 459.060837 |
| CLogP | 4.9204 |
| CLogS | -7.533 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 344.64 |
| Relative PSA | 0.20134 |
| PolarSurfaceArea | 94.02 |
| Druglikeness | -2.7806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-3-(2-benzoyl-4-chloroanilino)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-(2-benzoyl-4-chloroanilino)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
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