2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-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-(pyrrolidin-1-yl)ethan-1-one
2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y500-8662 |
| Compound Name: | 2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 387.32 |
| Molecular Formula: | C13 H15 Br N4 O S2 |
| Smiles: | Cn1c(c2cc(cs2)[Br])nnc1SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7648 |
| logD: | 2.764 |
| logSw: | -2.9327 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.828 |
| InChI Key: | GLPXTPYRGVDOQS-UHFFFAOYSA-N |