8-{[2-(4-fluorophenoxy)ethyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[2-(4-fluorophenoxy)ethyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[2-(4-fluorophenoxy)ethyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8010-7310 |
| Compound Name: | 8-{[2-(4-fluorophenoxy)ethyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 347.35 |
| Molecular Formula: | C16 H18 F N5 O3 |
| Smiles: | CN1C(c2c(nc(NCCOc3ccc(cc3)F)n2C)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4445 |
| logD: | 2.4442 |
| logSw: | -2.8316 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.187 |
| InChI Key: | SHOSFUDBVRCKSW-UHFFFAOYSA-N |