2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
Formula:C24H19N4OClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide |
| MolecularFormula | C24H19N4OClS3 |
| Smiles | O=C(CSc1nnc(SCc(cc2)ccc2Cl)s1)N/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C24H19ClN4OS3/c25-21-12-8-18(9-13-21)15-31-23-28-29-24(33-23)32-16-22(30)27-26-14-17-6-10-20(11-7-17)19-4-2-1-3-5-19/h1-14H,15-16H2,(H,27,30) |
| InChIK | JGKAZMPXVNFPTC-UHFFFAOYSA-N |
| TotalMolweight | 511.093 |
| Molweight | 511.093 |
| MonoisotopicMass | 510.040948 |
| CLogP | 6.6782 |
| CLogS | -9.162 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 377.89 |
| Relative PSA | 0.2998 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | 5.15 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide | 2 - 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
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