3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-5-[4-(propan-2-yl)benzene-1-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-[4-(propan-2-yl)benzene-1-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-[4-(propan-2-yl)benzene-1-sulfonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Compound characteristics
| Compound ID: | L888-0058 |
| Compound Name: | 3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-5-[4-(propan-2-yl)benzene-1-sulfonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine |
| Molecular Weight: | 460.62 |
| Molecular Formula: | C21 H28 N6 O2 S2 |
| Smiles: | CCSc1nnc(c2c3CN(CCc3n(C)n2)S(c2ccc(cc2)C(C)C)(=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 3.2767 |
| logD: | 3.2681 |
| logSw: | -3.5706 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.713 |
| InChI Key: | DSWVANBRQSGFPK-UHFFFAOYSA-N |