N-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
N-(3-chloro-4-methylphenyl)-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: | C656-0110 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide |
| Molecular Weight: | 426.84 |
| Molecular Formula: | C20 H16 Cl F N6 O2 |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN1C=Nc2c(C1=O)nnn2Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2052 |
| logD: | 3.205 |
| logSw: | -3.3596 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.171 |
| InChI Key: | KVJQFRXJADYYKD-UHFFFAOYSA-N |