N-benzyl-3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxamide
Chemical Structure Depiction of
N-benzyl-3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxamide
N-benzyl-3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxamide
Compound characteristics
| Compound ID: | S903-0772 |
| Compound Name: | N-benzyl-3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C21 H30 N6 O3 S |
| Smiles: | CC(C)S(N1CCC(CC1)c1nnc2CN(CCn12)C(NCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2131 |
| logD: | 1.213 |
| logSw: | -2.3636 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.447 |
| InChI Key: | RSNJOCCAAUXSBX-UHFFFAOYSA-N |