N-(5-bromopyridin-2-yl)-2-{[4-methyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-bromopyridin-2-yl)-2-{[4-methyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-bromopyridin-2-yl)-2-{[4-methyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-9109 |
| Compound Name: | N-(5-bromopyridin-2-yl)-2-{[4-methyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 408.27 |
| Molecular Formula: | C15 H14 Br N5 O2 S |
| Smiles: | Cc1c(cco1)c1nnc(n1C)SCC(Nc1ccc(cn1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7875 |
| logD: | 2.7788 |
| logSw: | -3.262 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.138 |
| InChI Key: | VDPGPJBJPMLHQQ-UHFFFAOYSA-N |