N-[(Z)-benzylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Formula:C22H18N4OS3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide |
| MolecularFormula | C22H18N4OS3 |
| Smiles | O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C22H18N4OS3/c27-20(24-23-13-16-7-2-1-3-8-16)15-29-22-26-25-21(30-22)28-14-18-11-6-10-17-9-4-5-12-19(17)18/h1-13H,14-15H2,(H,24,27) |
| InChIK | WWSVMCVQGNRNHT-UHFFFAOYSA-N |
| TotalMolweight | 450.61 |
| Molweight | 450.61 |
| MonoisotopicMass | 450.064271 |
| CLogP | 5.6074 |
| CLogS | -7.946 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 337.31 |
| Relative PSA | 0.33586 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | 5.1323 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide | 2 - N-[(Z)-benzylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
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