N-[(Z)-[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]furan-2-carboxamide
Formula:C22H21N3O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C22H21N3O3Cl2 |
| Smiles | O=C(c1ccco1)N/N=C\C(CC/C1=C\c(ccc(Cl)c2)c2Cl)=C1N1CCOCC1 |
| InChI | InChI=1S/C22H21Cl2N3O3/c23-18-6-5-15(19(24)13-18)12-16-3-4-17(21(16)27-7-10-29-11-8-27)14-25-26-22(28)20-2-1-9-30-20/h1-2,5-6,9,12-14H,3-4,7-8,10-11H2,(H,26,28) |
| InChIK | WFXJULYNRQCVAN-UHFFFAOYSA-N |
| TotalMolweight | 446.333 |
| Molweight | 446.333 |
| MonoisotopicMass | 445.095996 |
| CLogP | 4.1818 |
| CLogS | -5.441 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 331.01 |
| Relative PSA | 0.19235 |
| PolarSurfaceArea | 67.07 |
| Druglikeness | 4.6002 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]furan-2-carboxamide | 2 - N-[(Z)-[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]furan-2-carboxamide
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