N-(2,5-dimethoxyphenyl)-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
N-(2,5-dimethoxyphenyl)-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
Compound characteristics
| Compound ID: | C656-0117 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide |
| Molecular Weight: | 438.42 |
| Molecular Formula: | C21 H19 F N6 O4 |
| Smiles: | COc1ccc(c(c1)NC(CN1C=Nc2c(C1=O)nnn2Cc1ccc(cc1)F)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.4984 |
| logD: | 1.498 |
| logSw: | -2.3382 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.648 |
| InChI Key: | JSMSSAZZAUJQMZ-UHFFFAOYSA-N |