4-[(3-bromophenyl)methoxy]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
Formula:C27H21N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(3-bromophenyl)methoxy]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(3-bromophenyl)methoxy]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C27H21N2O3Br |
| Smiles | O=C(c(cc1)ccc1OCc1cccc(Br)c1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C27H21BrN2O3/c28-23-8-4-7-21(16-23)19-32-24-14-12-22(13-15-24)27(31)30-29-18-20-6-5-11-26(17-20)33-25-9-2-1-3-10-25/h1-18H,19H2,(H,30,31) |
| InChIK | QKOZDRQZXRLIFR-UHFFFAOYSA-N |
| TotalMolweight | 501.379 |
| Molweight | 501.379 |
| MonoisotopicMass | 500.073554 |
| CLogP | 6.6705 |
| CLogS | -8.193 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 358.9 |
| Relative PSA | 0.15606 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.2305 |
| 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 | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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