2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | J047-0017 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 358.42 |
| Molecular Formula: | C17 H18 N4 O3 S |
| Smiles: | Cn1c(c2cc3ccccc3o2)nnc1SCC(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9548 |
| logD: | 1.9548 |
| logSw: | -2.6764 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.645 |
| InChI Key: | WCFOICHKFCPPNA-UHFFFAOYSA-N |