2-{[4-cyclopropyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[4-cyclopropyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
2-{[4-cyclopropyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | IB04-0249 |
| Compound Name: | 2-{[4-cyclopropyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 336.41 |
| Molecular Formula: | C18 H16 N4 O S |
| Smiles: | C1CC1n1c(c2ccncc2)nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.73 |
| logD: | 2.73 |
| logSw: | -3.28 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 123.58 |
| InChI Key: | XLKKGJLAKOMLJY-UHFFFAOYSA-N |