8-[cyclohexyl(methyl)amino]-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[cyclohexyl(methyl)amino]-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
8-[cyclohexyl(methyl)amino]-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8017-8619 |
| Compound Name: | 8-[cyclohexyl(methyl)amino]-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 409.49 |
| Molecular Formula: | C22 H27 N5 O3 |
| Smiles: | CN1C(c2c(nc(N(C)C3CCCCC3)n2CC(c2ccccc2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.519 |
| logD: | 3.519 |
| logSw: | -3.6784 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.498 |
| InChI Key: | QWLQYXBHOYOBQL-UHFFFAOYSA-N |