3-phenyl-6-[(E)-2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethenyl]-2,1-benzoxazole
Formula:C24H15N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-6-[(E)-2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethenyl]-2,1-benzoxazole is a drug-like molecule.
| MolName | 3-phenyl-6-[(E)-2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethenyl]-2,1-benzoxazole |
| MolecularFormula | C24H15N5OS |
| Smiles | C(c(s1)nn2c1nnc2-c1ccccc1)=C/c1cc2noc(-c3ccccc3)c2cc1 |
| InChI | InChI=1S/C24H15N5OS/c1-3-7-17(8-4-1)22-19-13-11-16(15-20(19)28-30-22)12-14-21-27-29-23(25-26-24(29)31-21)18-9-5-2-6-10-18/h1-15H |
| InChIK | PXTZMXZQHWTOLR-UHFFFAOYSA-N |
| TotalMolweight | 421.483 |
| Molweight | 421.483 |
| MonoisotopicMass | 421.09973 |
| CLogP | 4.6767 |
| CLogS | -5.625 |
| H Acceptors | 6 |
| TotalSurfaceArea | 319.56 |
| Relative PSA | 0.27006 |
| PolarSurfaceArea | 97.35 |
| Druglikeness | 4.8849 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 29 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 5 |
| StereoCon |
Click to Load Molecule:
1 - 3-phenyl-6-[(E)-2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethenyl]-2,1-benzoxazole | 2 - 3-phenyl-6-[(E)-2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethenyl]-2,1-benzoxazole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off