7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D114-0019 |
| Compound Name: | 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 446.35 |
| Molecular Formula: | C20 H24 Br N5 O2 |
| Smiles: | CC1CCN(CC1)c1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.7035 |
| logD: | 4.7033 |
| logSw: | -4.3422 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.697 |
| InChI Key: | ONVPMTQCOZVHGV-UHFFFAOYSA-N |