7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0163 |
| Compound Name: | 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 434.29 |
| Molecular Formula: | C18 H20 Br N5 O3 |
| Smiles: | CN1C(c2c(nc(N3CCOCC3)n2Cc2ccc(cc2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2144 |
| logD: | 3.2142 |
| logSw: | -3.0952 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.606 |
| InChI Key: | BTBIBVAKWAWQEX-UHFFFAOYSA-N |