(3,5-dimethylphenyl){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}methanone
Chemical Structure Depiction of
(3,5-dimethylphenyl){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}methanone
(3,5-dimethylphenyl){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}methanone
Compound characteristics
| Compound ID: | L886-0083 |
| Compound Name: | (3,5-dimethylphenyl){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}methanone |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C21 H26 N6 O S |
| Smiles: | CCSc1nnc(c2c3CN(CCc3n(C)n2)C(c2cc(C)cc(C)c2)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 2.311 |
| logD: | 2.2868 |
| logSw: | -2.2344 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.65 |
| InChI Key: | IZSIDSCSQCQHMH-UHFFFAOYSA-N |