N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C28H23N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C28H23N4OF3 |
| Smiles | O=C(CNc1cccc(C(F)(F)F)c1)N/N=C\c(cc1)ccc1N(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C28H23F3N4O/c29-28(30,31)22-8-7-9-23(18-22)32-20-27(36)34-33-19-21-14-16-26(17-15-21)35(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-19,32H,20H2,(H,34,36) |
| InChIK | JHQHAQDHOIUTEQ-UHFFFAOYSA-N |
| TotalMolweight | 488.512 |
| Molweight | 488.512 |
| MonoisotopicMass | 488.182395 |
| CLogP | 5.9362 |
| CLogS | -8.497 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 371.49 |
| Relative PSA | 0.13734 |
| PolarSurfaceArea | 56.73 |
| Druglikeness | -1.5845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 12 |
| Amines | 2 |
| Aromatic Amines | 2 |
| StereoCon |
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1 - N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
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