N'-[(Z)-(3-phenoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]butanediamide
Formula:C24H20N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(3-phenoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]butanediamide is not a drug-like molecule.
| MolName | N'-[(Z)-(3-phenoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]butanediamide |
| MolecularFormula | C24H20N3O3F3 |
| Smiles | O=C(CCC(N/N=C\c1cc(Oc2ccccc2)ccc1)=O)Nc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C24H20F3N3O3/c25-24(26,27)18-7-5-8-19(15-18)29-22(31)12-13-23(32)30-28-16-17-6-4-11-21(14-17)33-20-9-2-1-3-10-20/h1-11,14-16H,12-13H2,(H,29,31)(H,30,32) |
| InChIK | SJMBOKFDXGVUGO-UHFFFAOYSA-N |
| TotalMolweight | 455.435 |
| Molweight | 455.435 |
| MonoisotopicMass | 455.145676 |
| CLogP | 5.2966 |
| CLogS | -7.14 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 342.94 |
| Relative PSA | 0.2056 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | -3.6665 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-(3-phenoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]butanediamide | 2 - N'-[(Z)-(3-phenoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]butanediamide
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