(E)-3-(2,4-dichlorophenyl)-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide
Formula:C18H11N3OCl4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide |
| MolecularFormula | C18H11N3OCl4S2 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc1nnc(SCc(ccc(Cl)c2)c2Cl)s1 |
| InChI | InChI=1S/C18H11Cl4N3OS2/c19-12-4-1-10(14(21)7-12)3-6-16(26)23-17-24-25-18(28-17)27-9-11-2-5-13(20)8-15(11)22/h1-8H,9H2,(H,23,24,26) |
| InChIK | CGZHNKBRAWWHFE-UHFFFAOYSA-N |
| TotalMolweight | 491.249 |
| Molweight | 491.249 |
| MonoisotopicMass | 488.90976 |
| CLogP | 6.8594 |
| CLogS | -8.65 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 334.88 |
| Relative PSA | 0.2517 |
| PolarSurfaceArea | 108.42 |
| Druglikeness | 1.8725 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (E)-3-(2,4-dichlorophenyl)-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide | 2 - (E)-3-(2,4-dichlorophenyl)-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide
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