2-(2,4-dibromoanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C21H17N3O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-(2,4-dibromoanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(2,4-dibromoanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C21H17N3O2Br2 |
| Smiles | O=C(CNc(ccc(Br)c1)c1Br)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H17Br2N3O2/c22-16-9-10-20(19(23)12-16)24-14-21(27)26-25-13-15-5-4-8-18(11-15)28-17-6-2-1-3-7-17/h1-13,24H,14H2,(H,26,27) |
| InChIK | YBIUYLNEBAFZPB-UHFFFAOYSA-N |
| TotalMolweight | 503.193 |
| Molweight | 503.193 |
| MonoisotopicMass | 500.968749 |
| CLogP | 5.3395 |
| CLogS | -7.508 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 319.23 |
| Relative PSA | 0.18003 |
| PolarSurfaceArea | 62.72 |
| Druglikeness | 3.1295 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-(2,4-dibromoanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-(2,4-dibromoanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
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