methyl 4-(2-{3-[(2-fluorophenyl)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-[(2-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamido)benzoate
methyl 4-(2-{3-[(2-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C656-0200 |
| Compound Name: | methyl 4-(2-{3-[(2-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamido)benzoate |
| Molecular Weight: | 436.4 |
| Molecular Formula: | C21 H17 F N6 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C=Nc2c(C1=O)nnn2Cc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1894 |
| logD: | 2.1893 |
| logSw: | -2.7309 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.345 |
| InChI Key: | MMSJQNXZQRTNMV-UHFFFAOYSA-N |