7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-(2-methoxyphenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-(2-methoxyphenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-(2-methoxyphenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-2107 |
| Compound Name: | 7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-(2-methoxyphenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C27 H30 N4 O4 |
| Salt: | not_available |
| Smiles: | CC(C)CCN1C(c2c(ncn2CC(c2ccc(C)cc2C)=O)N(C1=O)c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4015 |
| logD: | 4.4015 |
| logSw: | -4.2871 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.101 |
| InChI Key: | OYZQKLRFZRBCSJ-UHFFFAOYSA-N |