methyl {8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
methyl {8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
methyl {8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | C470-0439 |
| Compound Name: | methyl {8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C18 H27 N5 O4 |
| Smiles: | CC1CC(C)CN(C1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1CC(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6938 |
| logD: | 1.6574 |
| logSw: | -1.6604 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.13 |
| InChI Key: | PPGUAJKBBWGRMB-UHFFFAOYSA-N |