7-(3,3-dimethyl-2-oxobutyl)-3-(4-fluorophenyl)-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(3,3-dimethyl-2-oxobutyl)-3-(4-fluorophenyl)-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
7-(3,3-dimethyl-2-oxobutyl)-3-(4-fluorophenyl)-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-5527 |
| Compound Name: | 7-(3,3-dimethyl-2-oxobutyl)-3-(4-fluorophenyl)-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C21 H25 F N4 O3 |
| Smiles: | CC(C)CN1C(c2c(ncn2CC(C(C)(C)C)=O)N(C1=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0902 |
| logD: | 3.0902 |
| logSw: | -3.2356 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.064 |
| InChI Key: | WGSPAYVXVYNPDO-UHFFFAOYSA-N |