{3-[1-(ethanesulfonyl)piperidin-3-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(4-methoxy-2-methylphenyl)methanone
Chemical Structure Depiction of
{3-[1-(ethanesulfonyl)piperidin-3-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(4-methoxy-2-methylphenyl)methanone
{3-[1-(ethanesulfonyl)piperidin-3-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(4-methoxy-2-methylphenyl)methanone
Compound characteristics
| Compound ID: | S585-1073 |
| Compound Name: | {3-[1-(ethanesulfonyl)piperidin-3-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(4-methoxy-2-methylphenyl)methanone |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C21 H29 N5 O4 S |
| Smiles: | CCS(N1CCCC(C1)c1nnc2CN(CCn12)C(c1ccc(cc1C)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.116 |
| logD: | 1.116 |
| logSw: | -2.4783 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.675 |
| InChI Key: | RXAZIUQJBBNRQT-INIZCTEOSA-N |