4-benzamido-N-[(Z)-(4-bromophenyl)methylideneamino]benzamide
Formula:C21H16N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-benzamido-N-[(Z)-(4-bromophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-benzamido-N-[(Z)-(4-bromophenyl)methylideneamino]benzamide |
| MolecularFormula | C21H16N3O2Br |
| Smiles | O=C(c1ccccc1)Nc(cc1)ccc1C(N/N=C\c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C21H16BrN3O2/c22-18-10-6-15(7-11-18)14-23-25-21(27)17-8-12-19(13-9-17)24-20(26)16-4-2-1-3-5-16/h1-14H,(H,24,26)(H,25,27) |
| InChIK | CCSTUXCVCMNMNG-UHFFFAOYSA-N |
| TotalMolweight | 422.281 |
| Molweight | 422.281 |
| MonoisotopicMass | 421.042588 |
| CLogP | 5.0743 |
| CLogS | -6.067 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 294.59 |
| Relative PSA | 0.2054 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.1092 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - 4-benzamido-N-[(Z)-(4-bromophenyl)methylideneamino]benzamide | 2 - 4-benzamido-N-[(Z)-(4-bromophenyl)methylideneamino]benzamide
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