(E)-3-(2,4-dichlorophenyl)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]prop-2-enamide
Formula:C18H15NOCl4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]prop-2-enamide |
| MolecularFormula | C18H15NOCl4S |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)NCCSCc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C18H15Cl4NOS/c19-14-4-2-13(16(21)10-14)3-6-18(24)23-7-8-25-11-12-1-5-15(20)17(22)9-12/h1-6,9-10H,7-8,11H2,(H,23,24) |
| InChIK | FTFLVPUCMORWNX-UHFFFAOYSA-N |
| TotalMolweight | 435.201 |
| Molweight | 435.201 |
| MonoisotopicMass | 432.962842 |
| CLogP | 5.8913 |
| CLogS | -7.191 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 309.18 |
| Relative PSA | 0.13581 |
| PolarSurfaceArea | 54.4 |
| Druglikeness | 0.44112 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-(2,4-dichlorophenyl)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]prop-2-enamide | 2 - (E)-3-(2,4-dichlorophenyl)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]prop-2-enamide
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