7-(2,5-dimethylfuran-3-carbonyl)-2-(2-methylpropyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
7-(2,5-dimethylfuran-3-carbonyl)-2-(2-methylpropyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-(2,5-dimethylfuran-3-carbonyl)-2-(2-methylpropyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | S901-0849 |
| Compound Name: | 7-(2,5-dimethylfuran-3-carbonyl)-2-(2-methylpropyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C22 H26 N4 O3 |
| Smiles: | CC(C)CN1C(N2CCN(C(C2=N1)c1ccccc1)C(c1cc(C)oc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2538 |
| logD: | 4.2538 |
| logSw: | -4.2332 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.926 |
| InChI Key: | HRXIOWJBZZNCTB-LJQANCHMSA-N |