7-(5-fluoro-2-methoxybenzene-1-sulfonyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
7-(5-fluoro-2-methoxybenzene-1-sulfonyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-(5-fluoro-2-methoxybenzene-1-sulfonyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | CM4439-1066 |
| Compound Name: | 7-(5-fluoro-2-methoxybenzene-1-sulfonyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 342.35 |
| Molecular Formula: | C13 H15 F N4 O4 S |
| Smiles: | CN1C(N2CCN(CC2=N1)S(c1cc(ccc1OC)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8244 |
| logD: | 0.8243 |
| logSw: | -2.1642 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.218 |
| InChI Key: | GSHGADPYTBWEFS-UHFFFAOYSA-N |