7-(2-{3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl}-2-oxoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(2-{3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl}-2-oxoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-(2-{3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl}-2-oxoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | S544-1223 |
| Compound Name: | 7-(2-{3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl}-2-oxoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 429.45 |
| Molecular Formula: | C21 H24 F N5 O4 |
| Smiles: | CN1C(c2c(ncn2CC(N2CCC(CCOc3ccc(cc3)F)C2)=O)N(C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6707 |
| logD: | 1.6706 |
| logSw: | -1.9804 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.799 |
| InChI Key: | CAAWGSODZOEMGO-CQSZACIVSA-N |