N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Formula:C22H17N4OFS3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide |
| MolecularFormula | C22H17N4OFS3 |
| Smiles | O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C\c1cc(F)ccc1 |
| InChI | InChI=1S/C22H17FN4OS3/c23-18-9-3-5-15(11-18)12-24-25-20(28)14-30-22-27-26-21(31-22)29-13-17-8-4-7-16-6-1-2-10-19(16)17/h1-12H,13-14H2,(H,25,28) |
| InChIK | FXIGDGAMMBALRS-UHFFFAOYSA-N |
| TotalMolweight | 468.6 |
| Molweight | 468.6 |
| MonoisotopicMass | 468.054849 |
| CLogP | 5.7082 |
| CLogS | -8.26 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 343.66 |
| Relative PSA | 0.32966 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | 3.7923 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide | 2 - N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
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