ethyl 2-(butylsulfanyl)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-(butylsulfanyl)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-(butylsulfanyl)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1318 |
| Compound Name: | ethyl 2-(butylsulfanyl)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | CCCCSc1nc2NC(C)=C(C(c3ccc(cc3)OC)n2n1)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.81 |
| logD: | 4.6417 |
| logSw: | -4.5339 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.068 |
| InChI Key: | XIYIHTBZNKOYAC-KRWDZBQOSA-N |