8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0318 |
| Compound Name: | 8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C23 H31 N5 O2 |
| Smiles: | CCC1CCCCN1Cc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8449 |
| logD: | 3.7933 |
| logSw: | -3.7254 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.225 |
| InChI Key: | AHRFYOGLERDGRS-SFHVURJKSA-N |