ethyl 7-(4-bromophenyl)-5-methyl-2-({[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]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-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl}sulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(4-bromophenyl)-5-methyl-2-({[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl}sulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0738 |
| Compound Name: | ethyl 7-(4-bromophenyl)-5-methyl-2-({[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl}sulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 629.54 |
| Molecular Formula: | C30 H25 Br N6 O3 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Br])n2c(NC=1C)nc(n2)SCc1ccc(cc1)c1nnc(c2ccccc2)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6182 |
| logD: | 6.5172 |
| logSw: | -5.8016 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.497 |
| InChI Key: | KIMSEBCDIYWYKH-VWLOTQADSA-N |