5-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
Chemical Structure Depiction of
5-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
5-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
Compound characteristics
| Compound ID: | D112-0122 |
| Compound Name: | 5-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine |
| Molecular Weight: | 453.33 |
| Molecular Formula: | C21 H18 Cl2 N8 |
| Smiles: | Cn1c2ccccc2nc1CNc1c2c(nc(Cc3ccc(cc3[Cl])[Cl])n1)n(C)nn2 |
| Stereo: | ACHIRAL |
| logP: | 4.3129 |
| logD: | 4.2894 |
| logSw: | -4.3818 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.002 |
| InChI Key: | AWTLTSHBNVDZCE-UHFFFAOYSA-N |