N-benzyl-3-[1-(3-methylbutanoyl)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-(3-methylbutanoyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxamide
N-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxamide
Compound characteristics
| Compound ID: | S903-1364 |
| Compound Name: | N-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxamide |
| Molecular Weight: | 424.55 |
| Molecular Formula: | C23 H32 N6 O2 |
| Smiles: | CC(C)CC(N1CCC(CC1)c1nnc2CN(CCn12)C(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6698 |
| logD: | 1.6696 |
| logSw: | -2.0168 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.857 |
| InChI Key: | MWWUXEZRCWSHHO-UHFFFAOYSA-N |