1-{4-[7-(1-ethyl-1H-pyrazole-4-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}-3-methylbutan-1-one
Chemical Structure Depiction of
1-{4-[7-(1-ethyl-1H-pyrazole-4-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}-3-methylbutan-1-one
1-{4-[7-(1-ethyl-1H-pyrazole-4-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}-3-methylbutan-1-one
Compound characteristics
| Compound ID: | S903-0210 |
| Compound Name: | 1-{4-[7-(1-ethyl-1H-pyrazole-4-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}-3-methylbutan-1-one |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C20 H31 N7 O3 S |
| Smiles: | CCn1cc(cn1)S(N1CCn2c(C1)nnc2C1CCN(CC1)C(CC(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3471 |
| logD: | 0.3007 |
| logSw: | -1.4266 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.278 |
| InChI Key: | PCJAPGDGDGTOOL-UHFFFAOYSA-N |