1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-3-phenylpropan-1-one
Chemical Structure Depiction of
1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-3-phenylpropan-1-one
1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | L886-0228 |
| Compound Name: | 1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-3-phenylpropan-1-one |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C20 H24 N6 O S |
| Smiles: | Cn1c(c2c3CN(CCc3n(C)n2)C(CCc2ccccc2)=O)nnc1SC |
| Stereo: | ACHIRAL |
| logP: | 1.8027 |
| logD: | 1.7906 |
| logSw: | -2.2023 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.123 |
| InChI Key: | UIDNLBJWDOPJGZ-UHFFFAOYSA-N |