7-[2-(adamantan-1-yl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperazin-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-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[2-(adamantan-1-yl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-9829 |
| Compound Name: | 7-[2-(adamantan-1-yl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C24 H34 N6 O3 |
| Smiles: | CN1CCN(CC1)c1nc2c(C(N(C)C(N2C)=O)=O)n1CC(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6111 |
| logD: | 2.0059 |
| logSw: | -3.6675 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.454 |
| InChI Key: | XZHDXSCYMYRUDM-UHFFFAOYSA-N |