N-(3,4-dimethylphenyl)-3-[1-(ethanesulfonyl)piperidin-3-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-3-[1-(ethanesulfonyl)piperidin-3-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxamide
N-(3,4-dimethylphenyl)-3-[1-(ethanesulfonyl)piperidin-3-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxamide
Compound characteristics
| Compound ID: | S585-1129 |
| Compound Name: | N-(3,4-dimethylphenyl)-3-[1-(ethanesulfonyl)piperidin-3-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: | CCS(N1CCCC(C1)c1nnc2CN(CCn12)C(Nc1ccc(C)c(C)c1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9138 |
| logD: | 1.9138 |
| logSw: | -2.7631 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.952 |
| InChI Key: | ABBFQEPLIMVEAB-KRWDZBQOSA-N |