7-[(4-fluorophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-fluorophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-fluorophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7706-0427 |
| Compound Name: | 7-[(4-fluorophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 369.35 |
| Molecular Formula: | C18 H16 F N5 O3 |
| Smiles: | CN1C(NC(c2c1nc(NCc1ccco1)n2Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9289 |
| logD: | 2.9288 |
| logSw: | -3.2962 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.509 |
| InChI Key: | JYMYODXADRMUAF-UHFFFAOYSA-N |