3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-5-(2-methylbenzene-1-sulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Chemical Structure Depiction of
3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-5-(2-methylbenzene-1-sulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-5-(2-methylbenzene-1-sulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Compound characteristics
| Compound ID: | L888-0391 |
| Compound Name: | 3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-5-(2-methylbenzene-1-sulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C20 H26 N6 O2 S2 |
| Smiles: | CCn1c(c2c3CN(CCc3n(C)n2)S(c2ccccc2C)(=O)=O)nnc1SCC |
| Stereo: | ACHIRAL |
| logP: | 2.6796 |
| logD: | 2.6522 |
| logSw: | -2.8012 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.628 |
| InChI Key: | CTUPEEDQXSZAFI-UHFFFAOYSA-N |