N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
Formula:C22H17N3O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide |
| MolecularFormula | C22H17N3O3Cl2 |
| Smiles | O=C(C(C(CN1)c2ccccc2)C1=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C22H17Cl2N3O3/c23-17-8-4-7-15(20(17)24)18-10-9-14(30-18)11-26-27-22(29)19-16(12-25-21(19)28)13-5-2-1-3-6-13/h1-11,16,19H,12H2,(H,25,28)(H,27,29) |
| InChIK | AROOAZVHDKORCX-UHFFFAOYSA-N |
| TotalMolweight | 442.301 |
| Molweight | 442.301 |
| MonoisotopicMass | 441.064696 |
| CLogP | 4.7815 |
| CLogS | -6.729 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 321.75 |
| Relative PSA | 0.23192 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 8.7461 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | unknown chirality |
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1 - N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide | 2 - N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
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