4-benzyl-5-(3,6-dicyclopropyl-1-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-benzyl-5-(3,6-dicyclopropyl-1-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
4-benzyl-5-(3,6-dicyclopropyl-1-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-7155 |
| Compound Name: | 4-benzyl-5-(3,6-dicyclopropyl-1-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 402.52 |
| Molecular Formula: | C22 H22 N6 S |
| Smiles: | Cn1c2c(c(cc(C3CC3)n2)c2nnc(n2Cc2ccccc2)S)c(C2CC2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.6457 |
| logD: | 3.738 |
| logSw: | -4.7504 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.228 |
| InChI Key: | BCXNMCSNUGKTNK-UHFFFAOYSA-N |