2-(4-bromophenoxy)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C22H19N2O3Br
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-(4-bromophenoxy)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-bromophenoxy)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C22H19N2O3Br |
| Smiles | O=C(COc(cc1)ccc1Br)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C22H19BrN2O3/c23-19-9-11-20(12-10-19)28-16-22(26)25-24-14-18-7-4-8-21(13-18)27-15-17-5-2-1-3-6-17/h1-14H,15-16H2,(H,25,26) |
| InChIK | LARCZLIZIDGXNR-UHFFFAOYSA-N |
| TotalMolweight | 439.308 |
| Molweight | 439.308 |
| MonoisotopicMass | 438.057904 |
| CLogP | 4.8498 |
| CLogS | -5.676 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 312.9 |
| Relative PSA | 0.179 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.4066 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-(4-bromophenoxy)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-(4-bromophenoxy)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
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