N-(5-bromopyridin-2-yl)-2-{[5-methyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-bromopyridin-2-yl)-2-{[5-methyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-bromopyridin-2-yl)-2-{[5-methyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-9880 |
| Compound Name: | N-(5-bromopyridin-2-yl)-2-{[5-methyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 368.25 |
| Molecular Formula: | C13 H14 Br N5 O S |
| Smiles: | Cc1nnc(n1CC=C)SCC(Nc1ccc(cn1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.398 |
| logD: | 2.3893 |
| logSw: | -2.6438 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.122 |
| InChI Key: | JQXJCQXJDKCJQR-UHFFFAOYSA-N |