7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | C470-0226 |
Compound Name: | 7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 449.91 |
Molecular Formula: | C21 H25 Cl F N5 O3 |
Smiles: | CC1CN(CC(C)O1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1c(cccc1[Cl])F |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.6534 |
logD: | 2.6533 |
logSw: | -3.3125 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 54.346 |
InChI Key: | GCCQPAUKLTVVHL-UHFFFAOYSA-N |