3-(3-bromophenyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Formula:C17H11N4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(3-bromophenyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.
| MolName | 3-(3-bromophenyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| MolecularFormula | C17H11N4BrS |
| Smiles | Brc1cc(-c2nnc3sc(/C=C/c4ccccc4)nn23)ccc1 |
| InChI | InChI=1S/C17H11BrN4S/c18-14-8-4-7-13(11-14)16-19-20-17-22(16)21-15(23-17)10-9-12-5-2-1-3-6-12/h1-11H |
| InChIK | SLDHGTGBOZMSQI-UHFFFAOYSA-N |
| TotalMolweight | 383.272 |
| Molweight | 383.272 |
| MonoisotopicMass | 381.988777 |
| CLogP | 3.9245 |
| CLogS | -4.083 |
| H Acceptors | 4 |
| TotalSurfaceArea | 255.38 |
| Relative PSA | 0.23972 |
| PolarSurfaceArea | 71.32 |
| Druglikeness | 1.6749 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 3-(3-bromophenyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | 2 - 3-(3-bromophenyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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