phenyl{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanone
Chemical Structure Depiction of
phenyl{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanone
phenyl{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanone
Compound characteristics
| Compound ID: | S903-0856 |
| Compound Name: | phenyl{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanone |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C20 H27 N5 O3 S |
| Smiles: | CC(C)S(N1CCC(CC1)c1nnc2CN(CCn12)C(c1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0986 |
| logD: | 1.0986 |
| logSw: | -2.239 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.304 |
| InChI Key: | KSZSLNHSOLYGEQ-UHFFFAOYSA-N |