7-[2-(adamantan-1-yl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(adamantan-1-yl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[2-(adamantan-1-yl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-9828 |
| Compound Name: | 7-[2-(adamantan-1-yl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C25 H35 N5 O3 |
| Smiles: | CC1CCN(CC1)c1nc2c(C(N(C)C(N2C)=O)=O)n1CC(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1234 |
| logD: | 5.1234 |
| logSw: | -5.053 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.978 |
| InChI Key: | GIMSKEPEVJNWRK-UHFFFAOYSA-N |