7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | D114-0018 |
Compound Name: | 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 423.9 |
Molecular Formula: | C22 H22 Cl N5 O2 |
Smiles: | CC(c1ccccc1)Nc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1[Cl] |
Stereo: | RACEMIC MIXTURE |
logP: | 4.6684 |
logD: | 4.6677 |
logSw: | -4.7424 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 54.009 |
InChI Key: | GTFCHXPBGIBJDY-AWEZNQCLSA-N |