N'-[(Z)-(4-bromophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
Formula:C17H13N3O2BrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-bromophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide |
| MolecularFormula | C17H13N3O2BrF3 |
| Smiles | O=C(CC(N/N=C\c(cc1)ccc1Br)=O)Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C17H13BrF3N3O2/c18-13-6-4-11(5-7-13)10-22-24-16(26)9-15(25)23-14-3-1-2-12(8-14)17(19,20)21/h1-8,10H,9H2,(H,23,25)(H,24,26) |
| InChIK | PXDZFTXWNPRKSJ-UHFFFAOYSA-N |
| TotalMolweight | 428.207 |
| Molweight | 428.207 |
| MonoisotopicMass | 427.014322 |
| CLogP | 4.1718 |
| CLogS | -5.407 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 278.05 |
| Relative PSA | 0.21762 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -6.9338 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(4-bromophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide | 2 - N'-[(Z)-(4-bromophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
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