2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyridin-2-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyridin-2-yl)ethan-1-one
2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyridin-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8019-4049 |
| Compound Name: | 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyridin-2-yl)ethan-1-one |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | CCn1c(c2ccc(cc2)OC)nnc1SCC(c1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1 |
| logD: | 3.1 |
| logSw: | -3.2595 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.804 |
| InChI Key: | DNGKJFNBKPBGTC-UHFFFAOYSA-N |