7-(2,4-dimethylbenzene-1-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
7-(2,4-dimethylbenzene-1-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-(2,4-dimethylbenzene-1-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | CM4439-0230 |
| Compound Name: | 7-(2,4-dimethylbenzene-1-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 308.36 |
| Molecular Formula: | C13 H16 N4 O3 S |
| Smiles: | Cc1ccc(c(C)c1)S(N1CCN2C(C1)=NNC2=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.785 |
| logD: | 1.7439 |
| logSw: | -2.6553 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.238 |
| InChI Key: | NILJLZIUUMTIDA-UHFFFAOYSA-N |