2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[4-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[4-(trifluoromethyl)phenyl]acetamide
2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[4-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C656-0038 |
| Compound Name: | 2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[4-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 442.4 |
| Molecular Formula: | C21 H17 F3 N6 O2 |
| Smiles: | Cc1ccc(Cn2c3c(C(N(CC(Nc4ccc(cc4)C(F)(F)F)=O)C=N3)=O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.082 |
| logD: | 3.082 |
| logSw: | -3.2779 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.171 |
| InChI Key: | BQDQLJSBCQMITQ-UHFFFAOYSA-N |