methyl 7-(furan-3-yl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 7-(furan-3-yl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
methyl 7-(furan-3-yl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y500-7273 |
| Compound Name: | methyl 7-(furan-3-yl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 306.34 |
| Molecular Formula: | C13 H14 N4 O3 S |
| Smiles: | CC1=C(C(c2ccoc2)n2c(N1)nc(n2)SC)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1935 |
| logD: | 2.0116 |
| logSw: | -2.8003 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.748 |
| InChI Key: | YNTPCEPRNKNWEE-JTQLQIEISA-N |