ethyl 5-methyl-2-(methylsulfanyl)-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-2-(methylsulfanyl)-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-2-(methylsulfanyl)-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-2570 |
| Compound Name: | ethyl 5-methyl-2-(methylsulfanyl)-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 375.4 |
| Molecular Formula: | C16 H17 N5 O4 S |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)n2c(NC=1C)nc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2823 |
| logD: | 3.1139 |
| logSw: | -3.491 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.906 |
| InChI Key: | YOGHDYCFAKTTSF-ZDUSSCGKSA-N |