ethyl 2-(butylsulfanyl)-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-(butylsulfanyl)-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-(butylsulfanyl)-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1330 |
| Compound Name: | ethyl 2-(butylsulfanyl)-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 386.51 |
| Molecular Formula: | C20 H26 N4 O2 S |
| Smiles: | CCCCSc1nc2NC(C)=C(C(c3ccc(C)cc3)n2n1)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.251 |
| logD: | 5.0827 |
| logSw: | -4.9839 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.525 |
| InChI Key: | MLQITTATXAARBG-KRWDZBQOSA-N |