7-(2-ethylbenzene-1-sulfonyl)-3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
Chemical Structure Depiction of
7-(2-ethylbenzene-1-sulfonyl)-3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
7-(2-ethylbenzene-1-sulfonyl)-3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
Compound characteristics
| Compound ID: | S903-0878 |
| Compound Name: | 7-(2-ethylbenzene-1-sulfonyl)-3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine |
| Molecular Weight: | 481.64 |
| Molecular Formula: | C21 H31 N5 O4 S2 |
| Smiles: | CCc1ccccc1S(N1CCn2c(C1)nnc2C1CCN(CC1)S(C(C)C)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0803 |
| logD: | 2.0635 |
| logSw: | -2.3435 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.366 |
| InChI Key: | VUCSPERWQVXECL-UHFFFAOYSA-N |