7-[2-(adamantan-1-yl)-2-oxoethyl]-8-[(2-methoxyethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(adamantan-1-yl)-2-oxoethyl]-8-[(2-methoxyethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[2-(adamantan-1-yl)-2-oxoethyl]-8-[(2-methoxyethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8018-2819 |
| Compound Name: | 7-[2-(adamantan-1-yl)-2-oxoethyl]-8-[(2-methoxyethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C22 H31 N5 O4 |
| Smiles: | CN1C(c2c(nc(NCCOC)n2CC(C23CC4CC(CC(C4)C3)C2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5485 |
| logD: | 3.5485 |
| logSw: | -3.6896 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.582 |
| InChI Key: | IZWOHCZORIQPLZ-UHFFFAOYSA-N |