N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]butanediamide
Formula:C24H19N3O3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]butanediamide is not a drug-like molecule.
| MolName | N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]butanediamide |
| MolecularFormula | C24H19N3O3ClF3 |
| Smiles | O=C(CCC(N/N=C\c1cc(Oc2ccccc2)ccc1)=O)Nc(cc(C(F)(F)F)cc1)c1Cl |
| InChI | InChI=1S/C24H19ClF3N3O3/c25-20-10-9-17(24(26,27)28)14-21(20)30-22(32)11-12-23(33)31-29-15-16-5-4-8-19(13-16)34-18-6-2-1-3-7-18/h1-10,13-15H,11-12H2,(H,30,32)(H,31,33) |
| InChIK | UZTJAZQQNIKOTL-UHFFFAOYSA-N |
| TotalMolweight | 489.88 |
| Molweight | 489.88 |
| MonoisotopicMass | 489.106703 |
| CLogP | 5.9026 |
| CLogS | -7.876 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 358.36 |
| Relative PSA | 0.19676 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | -3.624 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]butanediamide | 2 - N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]butanediamide
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