2-{[5-(4-bromothiophen-2-yl)-4-ethyl-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-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[5-(4-bromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y500-8671 |
| Compound Name: | 2-{[5-(4-bromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 401.34 |
| Molecular Formula: | C14 H17 Br N4 O S2 |
| Smiles: | CCn1c(c2cc(cs2)[Br])nnc1SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3793 |
| logD: | 3.3769 |
| logSw: | -3.5791 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.742 |
| InChI Key: | HDZCHTNWQFEZCI-UHFFFAOYSA-N |