methyl 4-(2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamido)benzoate
methyl 4-(2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C656-0039 |
| Compound Name: | methyl 4-(2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamido)benzoate |
| Molecular Weight: | 432.44 |
| Molecular Formula: | C22 H20 N6 O4 |
| Smiles: | Cc1ccc(Cn2c3c(C(N(CC(Nc4ccc(cc4)C(=O)OC)=O)C=N3)=O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3 |
| logD: | 2.3 |
| logSw: | -2.7855 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.345 |
| InChI Key: | UTVQZHLNWLRUGF-UHFFFAOYSA-N |