8-(4-bromophenyl)-1-methyl-3-pentyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Chemical Structure Depiction of
8-(4-bromophenyl)-1-methyl-3-pentyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
8-(4-bromophenyl)-1-methyl-3-pentyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | E461-0496 |
| Compound Name: | 8-(4-bromophenyl)-1-methyl-3-pentyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione |
| Molecular Weight: | 432.32 |
| Molecular Formula: | C19 H22 Br N5 O2 |
| Smiles: | CCCCCN1C(c2c(nc3N(CCn23)c2ccc(cc2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.962 |
| logD: | 4.8963 |
| logSw: | -4.5645 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.399 |
| InChI Key: | DMTQDVYNPGWCKW-UHFFFAOYSA-N |