ethyl 7-(4-bromophenyl)-5-methyl-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(4-bromophenyl)-5-methyl-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(4-bromophenyl)-5-methyl-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0967 |
| Compound Name: | ethyl 7-(4-bromophenyl)-5-methyl-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 465.41 |
| Molecular Formula: | C20 H25 Br N4 O2 S |
| Smiles: | CCCCCSc1nc2NC(C)=C(C(c3ccc(cc3)[Br])n2n1)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3421 |
| logD: | 6.1738 |
| logSw: | -5.2808 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.525 |
| InChI Key: | XSZSSQCIFYXNSP-KRWDZBQOSA-N |