5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Chemical Structure Depiction of
5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Compound characteristics
| Compound ID: | L888-0368 |
| Compound Name: | 5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C21 H26 N6 O4 S2 |
| Smiles: | CCn1c(c2c3CN(CCc3n(C)n2)S(c2ccc3c(c2)OCCO3)(=O)=O)nnc1SCC |
| Stereo: | ACHIRAL |
| logP: | 1.597 |
| logD: | 1.5696 |
| logSw: | -2.5055 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.451 |
| InChI Key: | AHKCUYVVCQDCJV-UHFFFAOYSA-N |