N-(4-bromophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pentanediamide
Formula:C19H17N3O2BrF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pentanediamide is not a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pentanediamide |
| MolecularFormula | C19H17N3O2BrF3 |
| Smiles | O=C(CCCC(N/N=C\c1c(C(F)(F)F)cccc1)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C19H17BrF3N3O2/c20-14-8-10-15(11-9-14)25-17(27)6-3-7-18(28)26-24-12-13-4-1-2-5-16(13)19(21,22)23/h1-2,4-5,8-12H,3,6-7H2,(H,25,27)(H,26,28) |
| InChIK | MTUBGVOVYVLSFW-UHFFFAOYSA-N |
| TotalMolweight | 456.261 |
| Molweight | 456.261 |
| MonoisotopicMass | 455.045622 |
| CLogP | 5.0806 |
| CLogS | -5.947 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 305.57 |
| Relative PSA | 0.19802 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -9.6783 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-(4-bromophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pentanediamide | 2 - N-(4-bromophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pentanediamide
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