2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
Formula:C18H14N4OClFS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C18H14N4OClFS3 |
| Smiles | O=C(CSc1nnc(SCc(cccc2)c2Cl)s1)N/N=C\c1cc(F)ccc1 |
| InChI | InChI=1S/C18H14ClFN4OS3/c19-15-7-2-1-5-13(15)10-26-17-23-24-18(28-17)27-11-16(25)22-21-9-12-4-3-6-14(20)8-12/h1-9H,10-11H2,(H,22,25) |
| InChIK | QVWMGWGTMFEEOR-UHFFFAOYSA-N |
| TotalMolweight | 452.985 |
| Molweight | 452.985 |
| MonoisotopicMass | 452.000226 |
| CLogP | 5.1198 |
| CLogS | -7.39 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 324.48 |
| Relative PSA | 0.34914 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | 3.81 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide | 2 - 2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
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