2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-bromo-2,3-dihydro-1H-indol-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-bromo-2,3-dihydro-1H-indol-1-yl)ethan-1-one
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-bromo-2,3-dihydro-1H-indol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | J047-0082 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-bromo-2,3-dihydro-1H-indol-1-yl)ethan-1-one |
| Molecular Weight: | 483.39 |
| Molecular Formula: | C22 H19 Br N4 O2 S |
| Smiles: | CCn1c(c2cc3ccccc3o2)nnc1SCC(N1CCc2cc(ccc12)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2873 |
| logD: | 5.2873 |
| logSw: | -5.8492 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.681 |
| InChI Key: | BTEBXYWORBAFHE-UHFFFAOYSA-N |