3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-5-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Chemical Structure Depiction of
3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-5-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-5-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Compound characteristics
| Compound ID: | L888-0061 |
| Compound Name: | 3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-5-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C18 H26 N8 O2 S2 |
| Smiles: | CCSc1nnc(c2c3CN(CCc3n(C)n2)S(c2c(C)nn(C)c2C)(=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 0.0483 |
| logD: | 0.0397 |
| logSw: | -0.9606 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.552 |
| InChI Key: | YIXPTZAASXBWTF-UHFFFAOYSA-N |