methyl {[5-(5-bromofuran-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(5-bromofuran-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(5-bromofuran-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-7441 |
| Compound Name: | methyl {[5-(5-bromofuran-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 360.23 |
| Molecular Formula: | C12 H14 Br N3 O3 S |
| Smiles: | CC(C)n1c(c2ccc(o2)[Br])nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5134 |
| logD: | 2.5105 |
| logSw: | -2.4256 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.092 |
| InChI Key: | ZRUPMRAGKWAUIT-UHFFFAOYSA-N |