1-{4-[7-(2-fluorobenzene-1-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-(2-fluorobenzene-1-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-(2-fluorobenzene-1-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: | S903-0152 |
| Compound Name: | 1-{4-[7-(2-fluorobenzene-1-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: | 449.55 |
| Molecular Formula: | C21 H28 F N5 O3 S |
| Smiles: | CC(C)CC(N1CCC(CC1)c1nnc2CN(CCn12)S(c1ccccc1F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.753 |
| logD: | 1.7066 |
| logSw: | -2.4269 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.776 |
| InChI Key: | ZZYYQXUWMXGPDX-UHFFFAOYSA-N |