8-{[benzyl(methyl)amino]methyl}-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[benzyl(methyl)amino]methyl}-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[benzyl(methyl)amino]methyl}-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | C470-0383 |
Compound Name: | 8-{[benzyl(methyl)amino]methyl}-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 437.93 |
Molecular Formula: | C23 H24 Cl N5 O2 |
Smiles: | CN(Cc1ccccc1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cccc(c1)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.1081 |
logD: | 4.1062 |
logSw: | -4.3579 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 47.525 |
InChI Key: | RFACFKVXOKYZFL-UHFFFAOYSA-N |