2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylpyridin-2-yl)acetamide
Chemical Structure Depiction of
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylpyridin-2-yl)acetamide
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylpyridin-2-yl)acetamide
Compound characteristics
| Compound ID: | D419-0061 |
| Compound Name: | 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylpyridin-2-yl)acetamide |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C22 H19 N5 O S |
| Smiles: | Cc1ccnc(c1)NC(CSc1nnc(c2ccccc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0876 |
| logD: | 4.0874 |
| logSw: | -4.15 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.477 |
| InChI Key: | AXKLCCZGNZYEPL-UHFFFAOYSA-N |