7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | 5339-0483 |
Compound Name: | 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 468.35 |
Molecular Formula: | C22 H22 Br N5 O2 |
Smiles: | CN1C(c2c(nc(NCCc3ccccc3)n2Cc2cccc(c2)[Br])N(C)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 4.4463 |
logD: | 4.4462 |
logSw: | -4.3826 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 54.688 |
InChI Key: | GCABVBUOAZXUSJ-UHFFFAOYSA-N |