ethyl 7-(2-ethoxyphenyl)-2-(hexylsulfanyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(2-ethoxyphenyl)-2-(hexylsulfanyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(2-ethoxyphenyl)-2-(hexylsulfanyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-2217 |
| Compound Name: | ethyl 7-(2-ethoxyphenyl)-2-(hexylsulfanyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 444.6 |
| Molecular Formula: | C23 H32 N4 O3 S |
| Smiles: | CCCCCCSc1nc2NC(C)=C(C(c3ccccc3OCC)n2n1)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5465 |
| logD: | 6.3781 |
| logSw: | -5.5691 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.735 |
| InChI Key: | PPESGCAFQMAOOG-FQEVSTJZSA-N |