7-(5-fluoro-2-methylbenzene-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-methylbenzene-1-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-(5-fluoro-2-methylbenzene-1-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | CM4439-0266 |
| Compound Name: | 7-(5-fluoro-2-methylbenzene-1-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 312.32 |
| Molecular Formula: | C12 H13 F N4 O3 S |
| Smiles: | Cc1ccc(cc1S(N1CCN2C(C1)=NNC2=O)(=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 1.3391 |
| logD: | 1.298 |
| logSw: | -2.5294 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.238 |
| InChI Key: | KLBRMVGHFMSTET-UHFFFAOYSA-N |