(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide
Formula:C23H20N2O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide |
| MolecularFormula | C23H20N2O3Cl2 |
| Smiles | O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C23H20Cl2N2O3/c24-20-3-1-2-19(23(20)25)21-10-8-18(30-21)9-11-22(28)26-16-4-6-17(7-5-16)27-12-14-29-15-13-27/h1-11H,12-15H2,(H,26,28) |
| InChIK | SKTRAOZWULKIGS-UHFFFAOYSA-N |
| TotalMolweight | 443.329 |
| Molweight | 443.329 |
| MonoisotopicMass | 442.085097 |
| CLogP | 4.9562 |
| CLogS | -6.533 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 330.86 |
| Relative PSA | 0.15765 |
| PolarSurfaceArea | 54.71 |
| Druglikeness | 2.1865 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide | 2 - (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide
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