1-{4-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}ethan-1-one
1-{4-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | 8014-6239 |
| Compound Name: | 1-{4-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}ethan-1-one |
| Molecular Weight: | 296.35 |
| Molecular Formula: | C15 H12 N4 O S |
| Smiles: | CC(c1ccc(cc1)n1c(c2ccncc2)nnc1S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6094 |
| logD: | 0.0669 |
| logSw: | -1.2551 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.713 |
| InChI Key: | JFORRUUQJMQPFO-UHFFFAOYSA-N |