methyl 4-{2-[3-(4-methylphenyl)-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)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate
methyl 4-{2-[3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C656-0336 |
| Compound Name: | methyl 4-{2-[3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate |
| Molecular Weight: | 418.41 |
| Molecular Formula: | C21 H18 N6 O4 |
| Smiles: | Cc1ccc(cc1)n1c2c(C(N(CC(Nc3ccc(cc3)C(=O)OC)=O)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.4074 |
| logD: | 2.4073 |
| logSw: | -2.8234 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.481 |
| InChI Key: | JHGNAKSXCNVIIU-UHFFFAOYSA-N |