methyl 4-{2-[3-(4-fluorophenyl)-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-fluorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate
methyl 4-{2-[3-(4-fluorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C656-0419 |
| Compound Name: | methyl 4-{2-[3-(4-fluorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzoate |
| Molecular Weight: | 422.37 |
| Molecular Formula: | C20 H15 F N6 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C=Nc2c(C1=O)nnn2c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0131 |
| logD: | 2.013 |
| logSw: | -2.6395 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.481 |
| InChI Key: | KUBIQQQWKWPDHO-UHFFFAOYSA-N |