2-{3-[(4-methylphenyl)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-methylphenyl)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-methylphenyl)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: | C656-0051 |
| Compound Name: | 2-{3-[(4-methylphenyl)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: | 382.42 |
| Molecular Formula: | C19 H22 N6 O3 |
| Smiles: | Cc1ccc(Cn2c3c(C(N(CC(NCC4CCCO4)=O)C=N3)=O)nn2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2425 |
| logD: | 0.2425 |
| logSw: | -1.8502 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.148 |
| InChI Key: | QVHGNTPRWOGBOT-OAHLLOKOSA-N |