ethyl 7-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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: | C202-0739 |
| Compound Name: | ethyl 7-(4-chlorophenyl)-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: | 585.08 |
| Molecular Formula: | C30 H25 Cl N6 O3 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])n2c(NC=1C)nc(n2)SCc1ccc(cc1)c1nnc(c2ccccc2)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.379 |
| logD: | 6.278 |
| logSw: | -6.3312 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.497 |
| InChI Key: | ANFXSUJXPWEDMU-VWLOTQADSA-N |