methyl 2-{3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}benzoate
Chemical Structure Depiction of
methyl 2-{3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}benzoate
methyl 2-{3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}benzoate
Compound characteristics
| Compound ID: | L888-0380 |
| Compound Name: | methyl 2-{3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}benzoate |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C21 H26 N6 O4 S2 |
| Smiles: | CCn1c(c2c3CN(CCc3n(C)n2)S(c2ccccc2C(=O)OC)(=O)=O)nnc1SCC |
| Stereo: | ACHIRAL |
| logP: | 2.4164 |
| logD: | 2.3891 |
| logSw: | -2.7397 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.801 |
| InChI Key: | UNGCSGYNWYTZNC-UHFFFAOYSA-N |