N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
Formula:C24H16N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C24H16N3O3Br |
| Smiles | N#Cc1c(COc(ccc(/C=N\NC(c2cc(cccc3)c3o2)=O)c2)c2Br)cccc1 |
| InChI | InChI=1S/C24H16BrN3O3/c25-20-11-16(9-10-22(20)30-15-19-7-2-1-6-18(19)13-26)14-27-28-24(29)23-12-17-5-3-4-8-21(17)31-23/h1-12,14H,15H2,(H,28,29) |
| InChIK | RIOSJCZBQUBJHU-UHFFFAOYSA-N |
| TotalMolweight | 474.313 |
| Molweight | 474.313 |
| MonoisotopicMass | 473.037503 |
| CLogP | 5.6161 |
| CLogS | -7.852 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 335.14 |
| Relative PSA | 0.21985 |
| PolarSurfaceArea | 87.62 |
| Druglikeness | -1.5933 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| StereoCon |
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