2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chloro-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chloro-1H-pyrazol-1-yl)ethan-1-one
2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chloro-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y500-8617 |
| Compound Name: | 2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chloro-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 418.72 |
| Molecular Formula: | C12 H9 Br Cl N5 O S2 |
| Smiles: | Cn1c(c2cc(cs2)[Br])nnc1SCC(n1cc(cn1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7011 |
| logD: | 2.701 |
| logSw: | -3.2903 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.367 |
| InChI Key: | CQFKKLFHCMMXPL-UHFFFAOYSA-N |