N-(5-bromopyridin-2-yl)-2-({5-ethyl-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(5-bromopyridin-2-yl)-2-({5-ethyl-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(5-bromopyridin-2-yl)-2-({5-ethyl-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y206-5548 |
| Compound Name: | N-(5-bromopyridin-2-yl)-2-({5-ethyl-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 426.33 |
| Molecular Formula: | C16 H20 Br N5 O2 S |
| Smiles: | CCc1nnc(n1CC1CCCO1)SCC(Nc1ccc(cn1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5609 |
| logD: | 2.5522 |
| logSw: | -2.6889 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.725 |
| InChI Key: | WSXXPZYPHVRMLO-GFCCVEGCSA-N |