2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
Formula:C18H15N4OBrS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide |
| MolecularFormula | C18H15N4OBrS3 |
| Smiles | O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C18H15BrN4OS3/c19-15-8-6-13(7-9-15)10-20-21-16(24)12-26-18-23-22-17(27-18)25-11-14-4-2-1-3-5-14/h1-10H,11-12H2,(H,21,24) |
| InChIK | XDXLGBAPPBHZDT-UHFFFAOYSA-N |
| TotalMolweight | 479.446 |
| Molweight | 479.446 |
| MonoisotopicMass | 477.959132 |
| CLogP | 5.1382 |
| CLogS | -7.174 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 321.34 |
| Relative PSA | 0.35255 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | 3.3423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.74074 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide | 2 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
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