2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Formula:C22H17N4OClS3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide |
| MolecularFormula | C22H17N4OClS3 |
| Smiles | O=C(CSc1nnc(SCc(cc2)ccc2Cl)s1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C22H17ClN4OS3/c23-18-10-8-15(9-11-18)13-29-21-26-27-22(31-21)30-14-20(28)25-24-12-17-6-3-5-16-4-1-2-7-19(16)17/h1-12H,13-14H2,(H,25,28) |
| InChIK | LZMZYMPCIDFPEI-UHFFFAOYSA-N |
| TotalMolweight | 485.055 |
| Molweight | 485.055 |
| MonoisotopicMass | 484.025298 |
| CLogP | 6.2134 |
| CLogS | -8.682 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 352.73 |
| Relative PSA | 0.32118 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | 5.15 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide | 2 - 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
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