2-bromo-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
Formula:C21H17N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2-bromo-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C21H17N2O2Br |
| Smiles | O=C(c(cccc1)c1Br)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C21H17BrN2O2/c22-20-9-5-4-8-19(20)21(25)24-23-14-16-10-12-18(13-11-16)26-15-17-6-2-1-3-7-17/h1-14H,15H2,(H,24,25) |
| InChIK | HTKVZUPDYPKCRX-UHFFFAOYSA-N |
| TotalMolweight | 409.282 |
| Molweight | 409.282 |
| MonoisotopicMass | 408.047339 |
| CLogP | 5.2749 |
| CLogS | -5.896 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 289.14 |
| Relative PSA | 0.15913 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.2305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-bromo-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide | 2 - 2-bromo-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
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