2-(3-bromoanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C21H18N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-bromoanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-bromoanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C21H18N3O2Br |
| Smiles | O=C(CNc1cccc(Br)c1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H18BrN3O2/c22-17-7-5-8-18(13-17)23-15-21(26)25-24-14-16-6-4-11-20(12-16)27-19-9-2-1-3-10-19/h1-14,23H,15H2,(H,25,26) |
| InChIK | IRPZXTWSWDTVMU-UHFFFAOYSA-N |
| TotalMolweight | 424.297 |
| Molweight | 424.297 |
| MonoisotopicMass | 423.058238 |
| CLogP | 4.6143 |
| CLogS | -6.674 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 300.6 |
| Relative PSA | 0.19118 |
| PolarSurfaceArea | 62.72 |
| Druglikeness | 3.1295 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| 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 - 2-(3-bromoanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-(3-bromoanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
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