7-(3,3-dimethyl-2-oxobutyl)-8-{[4-(4-methoxyphenyl)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-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-(3,3-dimethyl-2-oxobutyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8255-0971 |
| Compound Name: | 7-(3,3-dimethyl-2-oxobutyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C25 H34 N6 O4 |
| Smiles: | CC(C)(C)C(Cn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)c1ccc(cc1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9354 |
| logD: | 2.9328 |
| logSw: | -3.1725 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.736 |
| InChI Key: | KYMFHQQGHFMCFU-UHFFFAOYSA-N |