7-(5-fluoro-2-methoxybenzene-1-sulfonyl)-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)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-(5-fluoro-2-methoxybenzene-1-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | CM4439-0255 |
| Compound Name: | 7-(5-fluoro-2-methoxybenzene-1-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 328.32 |
| Molecular Formula: | C12 H13 F N4 O4 S |
| Smiles: | COc1ccc(cc1S(N1CCN2C(C1)=NNC2=O)(=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 0.7984 |
| logD: | 0.7573 |
| logSw: | -2.5356 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.869 |
| InChI Key: | RRNGTOZOZJQFRB-UHFFFAOYSA-N |