7-[(2-bromophenyl)methyl]-8-[3-(diethylamino)phenoxy]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-bromophenyl)methyl]-8-[3-(diethylamino)phenoxy]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-bromophenyl)methyl]-8-[3-(diethylamino)phenoxy]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0549 |
| Compound Name: | 7-[(2-bromophenyl)methyl]-8-[3-(diethylamino)phenoxy]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 512.41 |
| Molecular Formula: | C24 H26 Br N5 O3 |
| Smiles: | CCN(CC)c1cccc(c1)Oc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.5046 |
| logD: | 5.5042 |
| logSw: | -5.4548 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.489 |
| InChI Key: | RYBDTGXTHIMLQL-UHFFFAOYSA-N |