(E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
Formula:C21H17NO2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C21H17NO2Cl2S |
| Smiles | O=C(/C=C/c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl)NCc1cccs1 |
| InChI | InChI=1S/C21H17Cl2NO2S/c22-17-7-6-16(20(23)12-17)14-26-18-8-3-15(4-9-18)5-10-21(25)24-13-19-2-1-11-27-19/h1-12H,13-14H2,(H,24,25) |
| InChIK | GBJZKGWNEQASJW-UHFFFAOYSA-N |
| TotalMolweight | 418.343 |
| Molweight | 418.343 |
| MonoisotopicMass | 417.035703 |
| CLogP | 5.2724 |
| CLogS | -6.137 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 312.79 |
| Relative PSA | 0.17539 |
| PolarSurfaceArea | 66.57 |
| Druglikeness | 1.9752 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide | 2 - (E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
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