ethyl 7-(4-bromophenyl)-5-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(4-bromophenyl)-5-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(4-bromophenyl)-5-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1440 |
| Compound Name: | ethyl 7-(4-bromophenyl)-5-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 530.4 |
| Molecular Formula: | C22 H20 Br N5 O4 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Br])n2c(NC=1C)nc(n2)SCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3759 |
| logD: | 5.2749 |
| logSw: | -5.3635 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.635 |
| InChI Key: | JQTYERCYRLLBLK-IBGZPJMESA-N |