N-[(Z)-[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
Formula:C24H14N2O3BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide |
| MolecularFormula | C24H14N2O3BrCl |
| Smiles | O=C(c1cc(c2ccccc2cc2)c2o1)N/N=C\c1ccc(-c(cc2)cc(Cl)c2Br)o1 |
| InChI | InChI=1S/C24H14BrClN2O3/c25-19-8-5-15(11-20(19)26)21-10-7-16(30-21)13-27-28-24(29)23-12-18-17-4-2-1-3-14(17)6-9-22(18)31-23/h1-13H,(H,28,29) |
| InChIK | BWSJGKNJYQEPQZ-UHFFFAOYSA-N |
| TotalMolweight | 493.743 |
| Molweight | 493.743 |
| MonoisotopicMass | 491.987631 |
| CLogP | 7.1717 |
| CLogS | -9.54 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 329.38 |
| Relative PSA | 0.195 |
| PolarSurfaceArea | 67.74 |
| Druglikeness | 4.8857 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| StereoCon |
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1 - N-[(Z)-[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide | 2 - N-[(Z)-[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
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