methyl 4-{2-[3-(3-methoxyphenyl)-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-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate
methyl 4-{2-[3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C656-0569 |
| Compound Name: | methyl 4-{2-[3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate |
| Molecular Weight: | 434.41 |
| Molecular Formula: | C21 H18 N6 O5 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C=Nc2c(C1=O)nnn2c1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1429 |
| logD: | 2.1428 |
| logSw: | -2.9221 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.025 |
| InChI Key: | NPDFPGPPPWJAPT-UHFFFAOYSA-N |