(E)-N-(2-chlorophenyl)-3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-2-cyanoprop-2-enamide
Formula:C20H12N2OCl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-chlorophenyl)-3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-2-cyanoprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(2-chlorophenyl)-3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-2-cyanoprop-2-enamide |
| MolecularFormula | C20H12N2OCl2S2 |
| Smiles | N#C/C(/C(Nc(cccc1)c1Cl)=O)=C\c1ccc(Sc(cc2)ccc2Cl)s1 |
| InChI | InChI=1S/C20H12Cl2N2OS2/c21-14-5-7-15(8-6-14)26-19-10-9-16(27-19)11-13(12-23)20(25)24-18-4-2-1-3-17(18)22/h1-11H,(H,24,25) |
| InChIK | YLRLBSWRKRTVBH-UHFFFAOYSA-N |
| TotalMolweight | 431.366 |
| Molweight | 431.366 |
| MonoisotopicMass | 429.976807 |
| CLogP | 6.0927 |
| CLogS | -7.055 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 312.68 |
| Relative PSA | 0.24277 |
| PolarSurfaceArea | 106.43 |
| Druglikeness | -0.59124 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | twice activated DB |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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