5-bromo-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
Formula:C20H18N3O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C20H18N3O3Br |
| Smiles | O=C(c1cc(cc(cc2)Br)c2o1)N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C20H18BrN3O3/c21-16-3-6-18-15(11-16)12-19(27-18)20(25)23-22-13-14-1-4-17(5-2-14)24-7-9-26-10-8-24/h1-6,11-13H,7-10H2,(H,23,25) |
| InChIK | OTFMFVNWLDWWOH-UHFFFAOYSA-N |
| TotalMolweight | 428.285 |
| Molweight | 428.285 |
| MonoisotopicMass | 427.053153 |
| CLogP | 4.1014 |
| CLogS | -5.841 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 291.75 |
| Relative PSA | 0.21823 |
| PolarSurfaceArea | 67.07 |
| Druglikeness | 3.6581 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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