2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-(3-fluorophenyl)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-(3-fluorophenyl)acetamide
2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C656-0257 |
| Compound Name: | 2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 412.81 |
| Molecular Formula: | C19 H14 Cl F N6 O2 |
| Smiles: | C(C(Nc1cccc(c1)F)=O)N1C=Nc2c(C1=O)nnn2Cc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.534 |
| logD: | 2.5339 |
| logSw: | -3.3366 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.171 |
| InChI Key: | LWWACANXSZFKCQ-UHFFFAOYSA-N |