7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-3878 |
| Compound Name: | 7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 474.36 |
| Molecular Formula: | C21 H24 Br N5 O3 |
| Smiles: | CC1CCCN(C1)c1nc2c(C(N(C)C(N2C)=O)=O)n1CC(c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0589 |
| logD: | 4.0589 |
| logSw: | -4.0919 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.878 |
| InChI Key: | KVKIYZZTRGDIKH-ZDUSSCGKSA-N |