5-bromo-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide
Formula:C22H20N3O5Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C22H20N3O5Br |
| Smiles | O=C(COc1ccc(/C=N\NC(c2cc(cc(cc3)Br)c3o2)=O)cc1)N1CCOCC1 |
| InChI | InChI=1S/C22H20BrN3O5/c23-17-3-6-19-16(11-17)12-20(31-19)22(28)25-24-13-15-1-4-18(5-2-15)30-14-21(27)26-7-9-29-10-8-26/h1-6,11-13H,7-10,14H2,(H,25,28) |
| InChIK | OMXDXLGPACCKNB-UHFFFAOYSA-N |
| TotalMolweight | 486.321 |
| Molweight | 486.321 |
| MonoisotopicMass | 485.058633 |
| CLogP | 3.6816 |
| CLogS | -5.228 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 333.26 |
| Relative PSA | 0.26019 |
| PolarSurfaceArea | 93.37 |
| Druglikeness | 4.586 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 5-bromo-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide | 2 - 5-bromo-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide
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