2-{[4-cyclopropyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[4-cyclopropyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
2-{[4-cyclopropyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Compound characteristics
| Compound ID: | IB04-1858 |
| Compound Name: | 2-{[4-cyclopropyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide |
| Molecular Weight: | 356.4 |
| Molecular Formula: | C16 H16 N6 O2 S |
| Smiles: | Cc1cc(NC(CSc2nnc(c3ccncc3)n2C2CC2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.09 |
| logD: | 2.06 |
| logSw: | -2.89 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 194.38 |
| InChI Key: | CHUSUNFKLMXXOB-UHFFFAOYSA-N |