1-{4-[7-(2,5-difluorobenzoyl)-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-(2,5-difluorobenzoyl)-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-(2,5-difluorobenzoyl)-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: | S903-1607 |
| Compound Name: | 1-{4-[7-(2,5-difluorobenzoyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}-3-methylbutan-1-one |
| Molecular Weight: | 431.48 |
| Molecular Formula: | C22 H27 F2 N5 O2 |
| Smiles: | CC(C)CC(N1CCC(CC1)c1nnc2CN(CCn12)C(c1cc(ccc1F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1351 |
| logD: | 2.1351 |
| logSw: | -2.9366 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.714 |
| InChI Key: | FQYDANZNMLBAPH-UHFFFAOYSA-N |