7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V016-6907 |
| Compound Name: | 7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C27 H28 N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(C(Cn2cnc3c2C(N(CC2CCCO2)C(N3c2ccccc2C)=O)=O)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3795 |
| logD: | 3.3795 |
| logSw: | -3.7674 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.875 |
| InChI Key: | NNEKCHHITNGIGT-HXUWFJFHSA-N |