ethyl 2-(hexylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-(hexylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-(hexylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-2215 |
| Compound Name: | ethyl 2-(hexylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C21 H27 N5 O4 S |
| Smiles: | CCCCCCSc1nc2NC(C)=C(C(c3ccc(cc3)[N+]([O-])=O)n2n1)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9298 |
| logD: | 5.7615 |
| logSw: | -5.2343 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.906 |
| InChI Key: | YYTNXKMHUADSHS-SFHVURJKSA-N |