8-(cyclohexylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(cyclohexylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(cyclohexylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0203 |
| Compound Name: | 8-(cyclohexylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C20 H24 F N5 O2 |
| Smiles: | CN1C(c2c(nc(NC3CCCCC3)n2Cc2ccc(cc2)F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1755 |
| logD: | 4.1754 |
| logSw: | -4.1156 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.572 |
| InChI Key: | FFIUMTXVKRQQSU-UHFFFAOYSA-N |