1-{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-(phenylsulfanyl)ethan-1-one
Chemical Structure Depiction of
1-{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-(phenylsulfanyl)ethan-1-one
1-{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-(phenylsulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | L886-0477 |
| Compound Name: | 1-{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-(phenylsulfanyl)ethan-1-one |
| Molecular Weight: | 428.58 |
| Molecular Formula: | C20 H24 N6 O S2 |
| Smiles: | CCn1c(c2c3CN(CCc3n(C)n2)C(CSc2ccccc2)=O)nnc1SC |
| Stereo: | ACHIRAL |
| logP: | 2.3122 |
| logD: | 2.2739 |
| logSw: | -2.4933 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.038 |
| InChI Key: | XTNXZZLTJKDHEO-UHFFFAOYSA-N |