1-[(3-bromophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(3-bromophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-[(3-bromophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-4878 |
| Compound Name: | 1-[(3-bromophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 349.18 |
| Molecular Formula: | C14 H13 Br N4 O2 |
| Smiles: | CN1C(N(Cc2cccc(c2)[Br])C(c2c1ncn2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1195 |
| logD: | 2.1195 |
| logSw: | -2.65 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.751 |
| InChI Key: | BTUWERGFYYCBTB-UHFFFAOYSA-N |