8-(4-tert-butylphenoxy)-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-tert-butylphenoxy)-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-tert-butylphenoxy)-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4137-0144 |
| Compound Name: | 8-(4-tert-butylphenoxy)-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C24 H25 F N4 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)Oc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 5.9513 |
| logD: | 5.9513 |
| logSw: | -5.5343 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.752 |
| InChI Key: | DXSWIPVGTJNSLO-UHFFFAOYSA-N |