ethyl 5-methyl-7-(2-methylphenyl)-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-7-(2-methylphenyl)-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-7-(2-methylphenyl)-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-2532 |
| Compound Name: | ethyl 5-methyl-7-(2-methylphenyl)-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C21 H28 N4 O2 S |
| Smiles: | CCCCCSc1nc2NC(C)=C(C(c3ccccc3C)n2n1)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9391 |
| logD: | 5.7708 |
| logSw: | -5.2561 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.525 |
| InChI Key: | UZHPWFIHODYBKM-SFHVURJKSA-N |