7-(3,3-dimethyl-2-oxobutyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(3,3-dimethyl-2-oxobutyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-(3,3-dimethyl-2-oxobutyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8255-0972 |
| Compound Name: | 7-(3,3-dimethyl-2-oxobutyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C24 H31 F N6 O3 |
| Smiles: | CC(C)(C)C(Cn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)c1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9821 |
| logD: | 2.9795 |
| logSw: | -3.1084 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.192 |
| InChI Key: | JWUCFIGIOOSMJM-UHFFFAOYSA-N |