ethyl 5-methyl-7-(2-nitrophenyl)-2-{[(pyridin-3-yl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-7-(2-nitrophenyl)-2-{[(pyridin-3-yl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-7-(2-nitrophenyl)-2-{[(pyridin-3-yl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1169 |
| Compound Name: | ethyl 5-methyl-7-(2-nitrophenyl)-2-{[(pyridin-3-yl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C21 H20 N6 O4 S |
| Smiles: | CCOC(C1C(c2ccccc2[N+]([O-])=O)n2c(NC=1C)nc(n2)SCc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4228 |
| logD: | 3.1278 |
| logSw: | -3.548 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.852 |
| InChI Key: | APUFHLIDNGJDHV-SFHVURJKSA-N |