N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide
Formula:C20H16N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C20H16N3O4Cl |
| Smiles | O=C(COc1ccc(/C=N\NC(c2ccco2)=O)cc1)Nc1cccc(Cl)c1 |
| InChI | InChI=1S/C20H16ClN3O4/c21-15-3-1-4-16(11-15)23-19(25)13-28-17-8-6-14(7-9-17)12-22-24-20(26)18-5-2-10-27-18/h1-12H,13H2,(H,23,25)(H,24,26) |
| InChIK | WQMRQFBCZUQLTL-UHFFFAOYSA-N |
| TotalMolweight | 397.817 |
| Molweight | 397.817 |
| MonoisotopicMass | 397.082934 |
| CLogP | 3.7187 |
| CLogS | -5.431 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 304.83 |
| Relative PSA | 0.2776 |
| PolarSurfaceArea | 92.93 |
| Druglikeness | 4.9302 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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