benzyl {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
benzyl {3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetate
benzyl {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: | C656-0081 |
| Compound Name: | benzyl {3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetate |
| Molecular Weight: | 389.41 |
| Molecular Formula: | C21 H19 N5 O3 |
| Smiles: | Cc1ccc(Cn2c3c(C(N(CC(=O)OCc4ccccc4)C=N3)=O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.519 |
| logD: | 2.519 |
| logSw: | -2.4187 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.556 |
| InChI Key: | YHNFRCGVGHVJSA-UHFFFAOYSA-N |