N-benzyl-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-benzyl-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8014-2519 |
| Compound Name: | N-benzyl-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C22 H19 N5 O S |
| Smiles: | C(c1ccccc1)NC(CSc1nnc(c2cccnc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8667 |
| logD: | 2.8625 |
| logSw: | -3.0374 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.702 |
| InChI Key: | QILSSEHHXAAMTB-UHFFFAOYSA-N |