8-bromo-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-bromo-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
8-bromo-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8010-8396 |
| Compound Name: | 8-bromo-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 391.22 |
| Molecular Formula: | C16 H15 Br N4 O3 |
| Smiles: | Cc1ccc(cc1)C(Cn1c2C(N(C)C(N(C)c2nc1[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.666 |
| logD: | 2.666 |
| logSw: | -2.772 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.551 |
| InChI Key: | GPSUDZQXOHSXQT-UHFFFAOYSA-N |