ethyl 5-methyl-7-(4-nitrophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-7-(4-nitrophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-7-(4-nitrophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1437 |
| Compound Name: | ethyl 5-methyl-7-(4-nitrophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 496.5 |
| Molecular Formula: | C22 H20 N6 O6 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[N+]([O-])=O)n2c(NC=1C)nc(n2)SCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4676 |
| logD: | 4.3667 |
| logSw: | -4.2614 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 123.016 |
| InChI Key: | PTWCJLJSIJQUKE-IBGZPJMESA-N |