N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide
Formula:C21H16N3O2Br3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:low
N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide |
| MolecularFormula | C21H16N3O2Br3 |
| Smiles | O=C(CNc(c(Br)c1)cc(Br)c1Br)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H16Br3N3O2/c22-17-10-19(24)20(11-18(17)23)25-13-21(28)27-26-12-14-5-4-8-16(9-14)29-15-6-2-1-3-7-15/h1-12,25H,13H2,(H,27,28) |
| InChIK | IKBUNQCGMUQEID-UHFFFAOYSA-N |
| TotalMolweight | 582.089 |
| Molweight | 582.089 |
| MonoisotopicMass | 578.87926 |
| CLogP | 6.0647 |
| CLogS | -8.342 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 337.86 |
| Relative PSA | 0.1701 |
| PolarSurfaceArea | 62.72 |
| Druglikeness | 3.1295 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide | 2 - N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide
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