N-(2,3-dichlorophenyl)-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dichlorophenyl)-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,3-dichlorophenyl)-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-9021 |
| Compound Name: | N-(2,3-dichlorophenyl)-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 394.28 |
| Molecular Formula: | C16 H13 Cl2 N5 O S |
| Smiles: | Cn1c(c2ccccn2)nnc1SCC(Nc1cccc(c1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9668 |
| logD: | 2.9567 |
| logSw: | -3.6344 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.55 |
| InChI Key: | CITPBXAOIQLQRW-UHFFFAOYSA-N |