ethyl 1-methyl-7-(methylsulfanyl)-4-oxo-1,4-dihydro[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-7-(methylsulfanyl)-4-oxo-1,4-dihydro[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylate
ethyl 1-methyl-7-(methylsulfanyl)-4-oxo-1,4-dihydro[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylate
Compound characteristics
| Compound ID: | 8016-6394 |
| Compound Name: | ethyl 1-methyl-7-(methylsulfanyl)-4-oxo-1,4-dihydro[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylate |
| Molecular Weight: | 269.28 |
| Molecular Formula: | C9 H11 N5 O3 S |
| Smiles: | CCOC(C1C(n2c(nc(n2)SC)N(C)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8901 |
| logD: | 0.8901 |
| logSw: | -1.3072 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.077 |
| InChI Key: | MOROCKKLFZMXHB-UHFFFAOYSA-N |