2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
Formula:C24H20N4OS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide |
| MolecularFormula | C24H20N4OS3 |
| Smiles | O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C24H20N4OS3/c29-22(17-31-24-28-27-23(32-24)30-16-19-7-3-1-4-8-19)26-25-15-18-11-13-21(14-12-18)20-9-5-2-6-10-20/h1-15H,16-17H2,(H,26,29) |
| InChIK | YSRMTPMLDMWXJI-UHFFFAOYSA-N |
| TotalMolweight | 476.648 |
| Molweight | 476.648 |
| MonoisotopicMass | 476.079921 |
| CLogP | 6.0722 |
| CLogS | -8.426 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 362.47 |
| Relative PSA | 0.31255 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | 5.1323 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide | 2 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
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