7-(3,3-dimethyl-2-oxobutyl)-3-(4-fluorophenyl)-1-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(3,3-dimethyl-2-oxobutyl)-3-(4-fluorophenyl)-1-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
7-(3,3-dimethyl-2-oxobutyl)-3-(4-fluorophenyl)-1-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-4576 |
| Compound Name: | 7-(3,3-dimethyl-2-oxobutyl)-3-(4-fluorophenyl)-1-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C25 H25 F N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)C(Cn1cnc2c1C(N(CCc1ccccc1)C(N2c1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6069 |
| logD: | 3.6069 |
| logSw: | -3.6677 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.771 |
| InChI Key: | UUCUNAOQMTZZKB-UHFFFAOYSA-N |