7-[2-(adamantan-1-yl)-2-oxoethyl]-8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(adamantan-1-yl)-2-oxoethyl]-8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[2-(adamantan-1-yl)-2-oxoethyl]-8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8013-1047 |
| Compound Name: | 7-[2-(adamantan-1-yl)-2-oxoethyl]-8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C25 H35 N5 O3 |
| Smiles: | CN1C(c2c(nc(NC3CCCCC3)n2CC(C23CC4CC(CC(C4)C3)C2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4003 |
| logD: | 5.4003 |
| logSw: | -5.21 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.852 |
| InChI Key: | WJUNOUCEGRCGDV-UHFFFAOYSA-N |