2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[(oxolan-2-yl)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-[(oxolan-2-yl)methyl]acetamide
2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C656-0272 |
| Compound Name: | 2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 402.84 |
| Molecular Formula: | C18 H19 Cl N6 O3 |
| Smiles: | C1CC(CNC(CN2C=Nc3c(C2=O)nnn3Cc2ccc(cc2)[Cl])=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4139 |
| logD: | 0.4138 |
| logSw: | -2.4327 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.148 |
| InChI Key: | RVBKBMLAJMTECW-CQSZACIVSA-N |