(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide
Formula:C20H13N3O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide |
| MolecularFormula | C20H13N3O3Cl2 |
| Smiles | O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc(cc1)cc(N2)c1NC2=O |
| InChI | InChI=1S/C20H13Cl2N3O3/c21-14-3-1-2-13(19(14)22)17-8-5-12(28-17)6-9-18(26)23-11-4-7-15-16(10-11)25-20(27)24-15/h1-10H,(H,23,26)(H2,24,25,27) |
| InChIK | ZKUXUXJHHCAANN-UHFFFAOYSA-N |
| TotalMolweight | 414.247 |
| Molweight | 414.247 |
| MonoisotopicMass | 413.033396 |
| CLogP | 4.1789 |
| CLogS | -7.372 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 296.19 |
| Relative PSA | 0.25176 |
| PolarSurfaceArea | 83.37 |
| Druglikeness | 1.4095 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Amides | 3 |
| StereoCon |
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1 - (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide | 2 - (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide
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