2-(4-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}piperazin-1-yl)-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-(4-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}piperazin-1-yl)-N-(propan-2-yl)acetamide
2-(4-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}piperazin-1-yl)-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | D112-0131 |
| Compound Name: | 2-(4-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}piperazin-1-yl)-N-(propan-2-yl)acetamide |
| Molecular Weight: | 477.4 |
| Molecular Formula: | C21 H26 Cl2 N8 O |
| Smiles: | CC(C)NC(CN1CCN(CC1)c1c2c(nc(Cc3ccc(cc3[Cl])[Cl])n1)n(C)nn2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6288 |
| logD: | 3.6277 |
| logSw: | -3.867 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.785 |
| InChI Key: | IQFYEZCMQATDLE-UHFFFAOYSA-N |