2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
Formula:C24H16N2O2BrF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C24H16N2O2BrF3 |
| Smiles | O=C(Cc(c1ccccc11)ccc1Br)N/N=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1 |
| InChI | InChI=1S/C24H16BrF3N2O2/c25-21-10-8-15(19-6-1-2-7-20(19)21)13-23(31)30-29-14-18-9-11-22(32-18)16-4-3-5-17(12-16)24(26,27)28/h1-12,14H,13H2,(H,30,31) |
| InChIK | FHSVSUMREGEJPP-UHFFFAOYSA-N |
| TotalMolweight | 501.301 |
| Molweight | 501.301 |
| MonoisotopicMass | 500.034723 |
| CLogP | 6.9065 |
| CLogS | -8.364 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 332.89 |
| Relative PSA | 0.15056 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -2.5253 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide | 2 - 2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
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