ethyl 4-({3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetyl)piperazine-1-carboxylate
ethyl 4-({3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C656-0009 |
| Compound Name: | ethyl 4-({3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetyl)piperazine-1-carboxylate |
| Molecular Weight: | 439.47 |
| Molecular Formula: | C21 H25 N7 O4 |
| Smiles: | CCOC(N1CCN(CC1)C(CN1C=Nc2c(C1=O)nnn2Cc1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6967 |
| logD: | 0.6966 |
| logSw: | -1.5663 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 92.195 |
| InChI Key: | BXCYPMSIQNAALX-UHFFFAOYSA-N |