4-benzyl-5-[1,3-dimethyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-benzyl-5-[1,3-dimethyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]-4H-1,2,4-triazole-3-thiol
4-benzyl-5-[1,3-dimethyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-1589 |
| Compound Name: | 4-benzyl-5-[1,3-dimethyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 457.51 |
| Molecular Formula: | C23 H19 N7 O2 S |
| Smiles: | Cc1c2c(cc(c3cccc(c3)[N+]([O-])=O)nc2n(C)n1)c1nnc(n1Cc1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 4.2216 |
| logD: | 3.3139 |
| logSw: | -4.6579 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.642 |
| InChI Key: | YOLCDADUVVOFJJ-UHFFFAOYSA-N |