1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-[(pyridin-3-yl)methoxy]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-[(pyridin-3-yl)methoxy]-3,7-dihydro-1H-purine-2,6-dione
1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-[(pyridin-3-yl)methoxy]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0408 |
| Compound Name: | 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-[(pyridin-3-yl)methoxy]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 456.3 |
| Molecular Formula: | C20 H18 Br N5 O3 |
| Smiles: | CN1C(N(Cc2ccc(cc2)[Br])C(c2c1nc(n2C)OCc1cccnc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1851 |
| logD: | 3.1831 |
| logSw: | -2.8172 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.794 |
| InChI Key: | ACCPUSAOYYQAIQ-UHFFFAOYSA-N |