N-[(Z)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide
Formula:C25H19N2O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide |
| MolecularFormula | C25H19N2O3Br |
| Smiles | O=C(COc(cc1)ccc1-c1ccccc1)N/N=C\c1ccc(-c2cccc(Br)c2)o1 |
| InChI | InChI=1S/C25H19BrN2O3/c26-21-8-4-7-20(15-21)24-14-13-23(31-24)16-27-28-25(29)17-30-22-11-9-19(10-12-22)18-5-2-1-3-6-18/h1-16H,17H2,(H,28,29) |
| InChIK | UHZTZFJLIQDRAT-UHFFFAOYSA-N |
| TotalMolweight | 475.341 |
| Molweight | 475.341 |
| MonoisotopicMass | 474.057904 |
| CLogP | 6.0998 |
| CLogS | -7.881 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 338.59 |
| Relative PSA | 0.17756 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 4.6103 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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