2-(2-methylpropyl)-8-phenyl-7-(thiophene-2-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
2-(2-methylpropyl)-8-phenyl-7-(thiophene-2-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
2-(2-methylpropyl)-8-phenyl-7-(thiophene-2-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | S901-0867 |
| Compound Name: | 2-(2-methylpropyl)-8-phenyl-7-(thiophene-2-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C20 H22 N4 O2 S |
| Smiles: | CC(C)CN1C(N2CCN(C(C2=N1)c1ccccc1)C(c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2684 |
| logD: | 4.2683 |
| logSw: | -4.1198 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.198 |
| InChI Key: | XWLIXOLBNYGYQZ-QGZVFWFLSA-N |