N-(5-bromopyridin-2-yl)-2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-bromopyridin-2-yl)-2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(5-bromopyridin-2-yl)-2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | Y206-0409 |
| Compound Name: | N-(5-bromopyridin-2-yl)-2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 342.21 |
| Molecular Formula: | C11 H12 Br N5 O S |
| Smiles: | Cc1nnc(n1C)SCC(Nc1ccc(cn1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5717 |
| logD: | 1.563 |
| logSw: | -2.2773 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.953 |
| InChI Key: | ZSHJQRXRWKMZHJ-UHFFFAOYSA-N |