methyl {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
methyl {3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetate
methyl {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: | C656-0075 |
| Compound Name: | methyl {3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetate |
| Molecular Weight: | 313.31 |
| Molecular Formula: | C15 H15 N5 O3 |
| Smiles: | Cc1ccc(Cn2c3c(C(N(CC(=O)OC)C=N3)=O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 0.7147 |
| logD: | 0.7147 |
| logSw: | -1.5381 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.872 |
| InChI Key: | LWVOJDGQUBDDCU-UHFFFAOYSA-N |