3-(4-fluorophenyl)-1-(2-methoxyethyl)-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-fluorophenyl)-1-(2-methoxyethyl)-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
3-(4-fluorophenyl)-1-(2-methoxyethyl)-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-5453 |
| Compound Name: | 3-(4-fluorophenyl)-1-(2-methoxyethyl)-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 360.39 |
| Molecular Formula: | C18 H21 F N4 O3 |
| Smiles: | CC(C)Cn1cnc2c1C(N(CCOC)C(N2c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.026 |
| logD: | 2.026 |
| logSw: | -2.1771 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.138 |
| InChI Key: | ZPPVTVNMGTWXRO-UHFFFAOYSA-N |