2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-bromophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-bromophenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-bromophenyl)acetamide
Compound characteristics
Compound ID: | J047-0287 |
Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-bromophenyl)acetamide |
Molecular Weight: | 457.35 |
Molecular Formula: | C20 H17 Br N4 O2 S |
Smiles: | CCn1c(c2cc3ccccc3o2)nnc1SCC(Nc1cccc(c1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 5.2732 |
logD: | 5.2731 |
logSw: | -5.7839 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.408 |
InChI Key: | UQBPXCSOHXMANB-UHFFFAOYSA-N |