ethyl 2-{[([1,1'-biphenyl]-4-yl)methyl]sulfanyl}-5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[([1,1'-biphenyl]-4-yl)methyl]sulfanyl}-5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-{[([1,1'-biphenyl]-4-yl)methyl]sulfanyl}-5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0656 |
| Compound Name: | ethyl 2-{[([1,1'-biphenyl]-4-yl)methyl]sulfanyl}-5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 527.6 |
| Molecular Formula: | C28 H25 N5 O4 S |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)n2c(NC=1C)nc(n2)SCc1ccc(cc1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2074 |
| logD: | 6.1065 |
| logSw: | -5.5974 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.363 |
| InChI Key: | KCUYTQOYVPXSFY-VWLOTQADSA-N |