8-{[benzyl(methyl)amino]methyl}-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[benzyl(methyl)amino]methyl}-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[benzyl(methyl)amino]methyl}-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0216 |
| Compound Name: | 8-{[benzyl(methyl)amino]methyl}-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 455.92 |
| Molecular Formula: | C23 H23 Cl F N5 O2 |
| Smiles: | CN(Cc1ccccc1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 4.0658 |
| logD: | 4.0638 |
| logSw: | -4.2779 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.525 |
| InChI Key: | LWMUHXPRRJCEGV-UHFFFAOYSA-N |