2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
Formula:C22H18N6OS
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide |
| MolecularFormula | C22H18N6OS |
| Smiles | O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C22H18N6OS/c29-20(25-24-15-18-11-7-8-14-23-18)16-30-22-27-26-21(17-9-3-1-4-10-17)28(22)19-12-5-2-6-13-19/h1-15H,16H2,(H,25,29) |
| InChIK | QPFVDNJLPVJFGY-UHFFFAOYSA-N |
| TotalMolweight | 414.492 |
| Molweight | 414.492 |
| MonoisotopicMass | 414.126279 |
| CLogP | 3.5849 |
| CLogS | -7.645 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 323.24 |
| Relative PSA | 0.28858 |
| PolarSurfaceArea | 110.36 |
| Druglikeness | 5.4255 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide | 2 - 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off