{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(4-methylphenyl)methanone
Chemical Structure Depiction of
{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(4-methylphenyl)methanone
{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(4-methylphenyl)methanone
Compound characteristics
| Compound ID: | L886-0045 |
| Compound Name: | {3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(4-methylphenyl)methanone |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C20 H24 N6 O S |
| Smiles: | CCSc1nnc(c2c3CN(CCc3n(C)n2)C(c2ccc(C)cc2)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 1.95 |
| logD: | 1.9258 |
| logSw: | -2.3854 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.65 |
| InChI Key: | XIYXVDCUKSHYEX-UHFFFAOYSA-N |