1-[(3-bromophenyl)methyl]-3,7-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(3-bromophenyl)methyl]-3,7-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
1-[(3-bromophenyl)methyl]-3,7-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0524 |
| Compound Name: | 1-[(3-bromophenyl)methyl]-3,7-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 432.32 |
| Molecular Formula: | C19 H22 Br N5 O2 |
| Smiles: | CN1C(N(Cc2cccc(c2)[Br])C(c2c1nc(N1CCCCC1)n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.794 |
| logD: | 3.792 |
| logSw: | -3.8097 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.742 |
| InChI Key: | VIVQRWZJOFSTIS-UHFFFAOYSA-N |