N-(3-chlorophenyl)-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-(3-chlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxamide
N-(3-chlorophenyl)-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: | S903-0140 |
| Compound Name: | N-(3-chlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxamide |
| Molecular Weight: | 444.96 |
| Molecular Formula: | C22 H29 Cl N6 O2 |
| Smiles: | CC(C)CC(N1CCC(CC1)c1nnc2CN(CCn12)C(Nc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7959 |
| logD: | 2.7959 |
| logSw: | -3.5217 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.535 |
| InChI Key: | DHWLBJKSVRTJCB-UHFFFAOYSA-N |