3-(phenoxymethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Formula:C18H14N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(phenoxymethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.
| MolName | 3-(phenoxymethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| MolecularFormula | C18H14N4OS |
| Smiles | C(c1nnc2sc(/C=C/c3ccccc3)nn12)Oc1ccccc1 |
| InChI | InChI=1S/C18H14N4OS/c1-3-7-14(8-4-1)11-12-17-21-22-16(19-20-18(22)24-17)13-23-15-9-5-2-6-10-15/h1-12H,13H2 |
| InChIK | DVEHWDNQXKRNBR-UHFFFAOYSA-N |
| TotalMolweight | 334.402 |
| Molweight | 334.402 |
| MonoisotopicMass | 334.088831 |
| CLogP | 2.7939 |
| CLogS | -1.729 |
| H Acceptors | 5 |
| TotalSurfaceArea | 260.51 |
| Relative PSA | 0.27339 |
| PolarSurfaceArea | 80.55 |
| Druglikeness | 3.065 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - 3-(phenoxymethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | 2 - 3-(phenoxymethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off