7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-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]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0390 |
| Compound Name: | 7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 435.88 |
| Molecular Formula: | C20 H23 Cl F N5 O3 |
| Smiles: | CC1CN(CC(C)O1)Cc1nc2c(C(NC(N2C)=O)=O)n1Cc1c(cccc1[Cl])F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2379 |
| logD: | 2.2358 |
| logSw: | -3.1986 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.259 |
| InChI Key: | BJTOWIKGLXDSPI-UHFFFAOYSA-N |