N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Formula:C18H13N4OBrClFS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide |
| MolecularFormula | C18H13N4OBrClFS3 |
| Smiles | O=C(CSc1nnc(SCc(cc2)ccc2Cl)s1)N/N=C\c(cc(cc1)Br)c1F |
| InChI | InChI=1S/C18H13BrClFN4OS3/c19-13-3-6-15(21)12(7-13)8-22-23-16(26)10-28-18-25-24-17(29-18)27-9-11-1-4-14(20)5-2-11/h1-8H,9-10H2,(H,23,26) |
| InChIK | KODXQIRYXZQVQO-UHFFFAOYSA-N |
| TotalMolweight | 531.881 |
| Molweight | 531.881 |
| MonoisotopicMass | 529.910737 |
| CLogP | 5.845 |
| CLogS | -8.224 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 343.11 |
| Relative PSA | 0.33019 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | 2.02 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide | 2 - N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
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