prop-2-en-1-yl 5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
prop-2-en-1-yl 5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K832-3860 |
| Compound Name: | prop-2-en-1-yl 5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 342.42 |
| Molecular Formula: | C17 H18 N4 O2 S |
| Smiles: | CC1=C(C(c2ccc(cc2)SC)n2c(N1)ncn2)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1535 |
| logD: | 2.9714 |
| logSw: | -3.3027 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.038 |
| InChI Key: | PQBMBUPOEWRRHC-HNNXBMFYSA-N |