N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
Formula:C20H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C20H19N3O3 |
| Smiles | O=C(c1cc(cccc2)c2o1)N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C20H19N3O3/c24-20(19-13-16-3-1-2-4-18(16)26-19)22-21-14-15-5-7-17(8-6-15)23-9-11-25-12-10-23/h1-8,13-14H,9-12H2,(H,22,24) |
| InChIK | DUDKANXJSAKTFE-UHFFFAOYSA-N |
| TotalMolweight | 349.389 |
| Molweight | 349.389 |
| MonoisotopicMass | 349.142642 |
| CLogP | 3.3762 |
| CLogS | -5.007 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 273.12 |
| Relative PSA | 0.23312 |
| PolarSurfaceArea | 67.07 |
| Druglikeness | 5.4481 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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