7-benzyl-1-[(3-bromophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-1-[(3-bromophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-1-[(3-bromophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8013-0316 |
| Compound Name: | 7-benzyl-1-[(3-bromophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 425.28 |
| Molecular Formula: | C20 H17 Br N4 O2 |
| Smiles: | CN1C(N(Cc2cccc(c2)[Br])C(c2c1ncn2Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4092 |
| logD: | 3.4092 |
| logSw: | -3.6641 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.923 |
| InChI Key: | WKCMBVFCZGPMPT-UHFFFAOYSA-N |