ethyl 2-(benzylsulfanyl)-7-(4-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-(benzylsulfanyl)-7-(4-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-(benzylsulfanyl)-7-(4-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C316-0110 |
| Compound Name: | ethyl 2-(benzylsulfanyl)-7-(4-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 485.4 |
| Molecular Formula: | C22 H21 Br N4 O2 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Br])n2c(NC=1C)nc(n2)SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4502 |
| logD: | 5.3493 |
| logSw: | -5.3872 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.253 |
| InChI Key: | IBFOCSFSVVUDEK-IBGZPJMESA-N |