6-[(E)-2-phenylethenyl]-3-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Formula:C19H16N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(E)-2-phenylethenyl]-3-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.
| MolName | 6-[(E)-2-phenylethenyl]-3-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| MolecularFormula | C19H16N4S |
| Smiles | C(Cc1ccccc1)c1nnc2sc(/C=C/c3ccccc3)nn12 |
| InChI | InChI=1S/C19H16N4S/c1-3-7-15(8-4-1)11-13-17-20-21-19-23(17)22-18(24-19)14-12-16-9-5-2-6-10-16/h1-10,12,14H,11,13H2 |
| InChIK | WJUNJCMVSMNTFV-UHFFFAOYSA-N |
| TotalMolweight | 332.43 |
| Molweight | 332.43 |
| MonoisotopicMass | 332.109566 |
| CLogP | 3.6472 |
| CLogS | -2.026 |
| H Acceptors | 4 |
| TotalSurfaceArea | 264.27 |
| Relative PSA | 0.23166 |
| PolarSurfaceArea | 71.32 |
| Druglikeness | 2.4727 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 6-[(E)-2-phenylethenyl]-3-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | 2 - 6-[(E)-2-phenylethenyl]-3-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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