7-(4-methoxybenzene-1-sulfonyl)-2-methyl-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
7-(4-methoxybenzene-1-sulfonyl)-2-methyl-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-(4-methoxybenzene-1-sulfonyl)-2-methyl-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | S901-0397 |
| Compound Name: | 7-(4-methoxybenzene-1-sulfonyl)-2-methyl-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C19 H20 N4 O4 S |
| Smiles: | CN1C(N2CCN(C(C2=N1)c1ccccc1)S(c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9576 |
| logD: | 2.9575 |
| logSw: | -3.3687 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.242 |
| InChI Key: | JKPJBKRIWHBVSK-QGZVFWFLSA-N |