1-benzyl-7-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-benzyl-7-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
1-benzyl-7-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-3057 |
| Compound Name: | 1-benzyl-7-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C25 H26 N4 O4 |
| Salt: | not_available |
| Smiles: | CC(C)(C)C(Cn1cnc2c1C(N(Cc1ccccc1)C(N2c1cccc(c1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5875 |
| logD: | 3.5875 |
| logSw: | -3.7807 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.337 |
| InChI Key: | FTUFXPQXGGXZFU-UHFFFAOYSA-N |