2-ethyl-7-(4-ethylbenzene-1-sulfonyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
2-ethyl-7-(4-ethylbenzene-1-sulfonyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
2-ethyl-7-(4-ethylbenzene-1-sulfonyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | S901-0796 |
| Compound Name: | 2-ethyl-7-(4-ethylbenzene-1-sulfonyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | CCc1ccc(cc1)S(N1CCN2C(C1c1ccccc1)=NN(CC)C2=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.313 |
| logD: | 4.313 |
| logSw: | -4.0756 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.744 |
| InChI Key: | OXOXGYHICQGNJV-LJQANCHMSA-N |