N,N'-bis[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]butanediamide
Formula:C20H16N4O2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N'-bis[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]butanediamide is not a drug-like molecule.
| MolName | N,N'-bis[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]butanediamide |
| MolecularFormula | C20H16N4O2F6 |
| Smiles | O=C(CCC(N/N=C\c1c(C(F)(F)F)cccc1)=O)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C20H16F6N4O2/c21-19(22,23)15-7-3-1-5-13(15)11-27-29-17(31)9-10-18(32)30-28-12-14-6-2-4-8-16(14)20(24,25)26/h1-8,11-12H,9-10H2,(H,29,31)(H,30,32) |
| InChIK | MXFTYADKCLZEMU-UHFFFAOYSA-N |
| TotalMolweight | 458.361 |
| Molweight | 458.361 |
| MonoisotopicMass | 458.117744 |
| CLogP | 5.1438 |
| CLogS | -6.214 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 327.4 |
| Relative PSA | 0.21998 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | -4.1748 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 18 |
| StereoCon |
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1 - N,N'-bis[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]butanediamide | 2 - N,N'-bis[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]butanediamide
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