methyl 2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}butanoate
Chemical Structure Depiction of
methyl 2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}butanoate
methyl 2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}butanoate
Compound characteristics
| Compound ID: | C656-0079 |
| Compound Name: | methyl 2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}butanoate |
| Molecular Weight: | 341.37 |
| Molecular Formula: | C17 H19 N5 O3 |
| Smiles: | CCC(C(=O)OC)N1C=Nc2c(C1=O)nnn2Cc1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.747 |
| logD: | 1.7469 |
| logSw: | -2.1363 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.559 |
| InChI Key: | HMXSDRQOZBWQHI-ZDUSSCGKSA-N |