3-heptyl-1-methyl-8-(4-methylphenyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Chemical Structure Depiction of
3-heptyl-1-methyl-8-(4-methylphenyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
3-heptyl-1-methyl-8-(4-methylphenyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | E461-0581 |
| Compound Name: | 3-heptyl-1-methyl-8-(4-methylphenyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C22 H29 N5 O2 |
| Smiles: | CCCCCCCN1C(c2c(nc3N(CCn23)c2ccc(C)cc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5433 |
| logD: | 5.4776 |
| logSw: | -5.1599 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.399 |
| InChI Key: | BKCLIWOILCHCEQ-UHFFFAOYSA-N |