3-(2-methylphenyl)-7-[2-(4-methylphenyl)-2-oxoethyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(2-methylphenyl)-7-[2-(4-methylphenyl)-2-oxoethyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
3-(2-methylphenyl)-7-[2-(4-methylphenyl)-2-oxoethyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V027-7512 |
| Compound Name: | 3-(2-methylphenyl)-7-[2-(4-methylphenyl)-2-oxoethyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C26 H26 N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(Cn1cnc2c1C(N(CC1CCCO1)C(N2c1ccccc1C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7448 |
| logD: | 2.7448 |
| logSw: | -2.9819 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.875 |
| InChI Key: | NHGIWVYVGHXVAC-HXUWFJFHSA-N |