2-methoxyethyl 2-(benzylsulfanyl)-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 2-(benzylsulfanyl)-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
2-methoxyethyl 2-(benzylsulfanyl)-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-1484 |
| Compound Name: | 2-methoxyethyl 2-(benzylsulfanyl)-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C21 H22 N4 O3 S2 |
| Smiles: | CC1=C(C(c2cccs2)n2c(N1)nc(n2)SCc1ccccc1)C(=O)OCCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3164 |
| logD: | 3.1791 |
| logSw: | -3.5998 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.908 |
| InChI Key: | HPJIGYLAYFTMLK-SFHVURJKSA-N |