N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
Formula:C18H16N3O4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C18H16N3O4Br |
| Smiles | O=C(c1cc(cccc2)c2o1)N/N=C\c1cc(Br)c(N2CCOCC2)o1 |
| InChI | InChI=1S/C18H16BrN3O4/c19-14-10-13(25-18(14)22-5-7-24-8-6-22)11-20-21-17(23)16-9-12-3-1-2-4-15(12)26-16/h1-4,9-11H,5-8H2,(H,21,23) |
| InChIK | YDCBBWZUAXRNIB-UHFFFAOYSA-N |
| TotalMolweight | 418.246 |
| Molweight | 418.246 |
| MonoisotopicMass | 417.032418 |
| CLogP | 3.6415 |
| CLogS | -6.048 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 281.44 |
| Relative PSA | 0.27636 |
| PolarSurfaceArea | 80.21 |
| Druglikeness | 0.23897 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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