N-[(Z)-anthracen-9-ylmethylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Formula:C26H19N4OClS3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide |
| MolecularFormula | C26H19N4OClS3 |
| Smiles | O=C(CSc1nnc(SCc(cc2)ccc2Cl)s1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C26H19ClN4OS3/c27-20-11-9-17(10-12-20)15-33-25-30-31-26(35-25)34-16-24(32)29-28-14-23-21-7-3-1-5-18(21)13-19-6-2-4-8-22(19)23/h1-14H,15-16H2,(H,29,32) |
| InChIK | MDTUXMMGMIJDDT-UHFFFAOYSA-N |
| TotalMolweight | 535.115 |
| Molweight | 535.115 |
| MonoisotopicMass | 534.040948 |
| CLogP | 7.4078 |
| CLogS | -10.288 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 387.33 |
| Relative PSA | 0.29249 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | 5.15 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
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