3-benzyl-8-(3,4-dimethylphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Chemical Structure Depiction of
3-benzyl-8-(3,4-dimethylphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
3-benzyl-8-(3,4-dimethylphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | E461-0638 |
| Compound Name: | 3-benzyl-8-(3,4-dimethylphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione |
| Molecular Weight: | 401.47 |
| Molecular Formula: | C23 H23 N5 O2 |
| Smiles: | Cc1ccc(cc1C)N1CCn2c3C(N(Cc4ccccc4)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8715 |
| logD: | 3.8572 |
| logSw: | -4.5975 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.149 |
| InChI Key: | DSCHJRNWBQGCIY-UHFFFAOYSA-N |