N'-[(Z)-(4-bromophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]butanediamide
Formula:C18H15N3O2BrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]butanediamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-bromophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]butanediamide |
| MolecularFormula | C18H15N3O2BrF3 |
| Smiles | O=C(CCC(N/N=C\c(cc1)ccc1Br)=O)Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C18H15BrF3N3O2/c19-14-6-4-12(5-7-14)11-23-25-17(27)9-8-16(26)24-15-3-1-2-13(10-15)18(20,21)22/h1-7,10-11H,8-9H2,(H,24,26)(H,25,27) |
| InChIK | LRLCJLXVTMFHOZ-UHFFFAOYSA-N |
| TotalMolweight | 442.234 |
| Molweight | 442.234 |
| MonoisotopicMass | 441.029972 |
| CLogP | 4.6262 |
| CLogS | -5.677 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 291.81 |
| Relative PSA | 0.20736 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -5.395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-(4-bromophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]butanediamide | 2 - N'-[(Z)-(4-bromophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]butanediamide
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