2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[(4-fluorophenyl)methyl]acetamide
2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C656-0270 |
| Compound Name: | 2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 426.84 |
| Molecular Formula: | C20 H16 Cl F N6 O2 |
| Smiles: | C(c1ccc(cc1)F)NC(CN1C=Nc2c(C1=O)nnn2Cc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9874 |
| logD: | 1.9874 |
| logSw: | -2.8745 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.493 |
| InChI Key: | GQWDNRBFMFDJMZ-UHFFFAOYSA-N |