ethyl {3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetate
Chemical Structure Depiction of
ethyl {3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetate
ethyl {3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetate
Compound characteristics
| Compound ID: | C656-0076 |
| Compound Name: | ethyl {3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetate |
| Molecular Weight: | 327.34 |
| Molecular Formula: | C16 H17 N5 O3 |
| Smiles: | CCOC(CN1C=Nc2c(C1=O)nnn2Cc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2495 |
| logD: | 1.2495 |
| logSw: | -1.9307 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.452 |
| InChI Key: | YNYXRZOTZIENMC-UHFFFAOYSA-N |