7-(adamantan-1-yl)-8-[2-(3,4-diethoxyphenyl)ethyl]-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Chemical Structure Depiction of
7-(adamantan-1-yl)-8-[2-(3,4-diethoxyphenyl)ethyl]-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
7-(adamantan-1-yl)-8-[2-(3,4-diethoxyphenyl)ethyl]-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Compound characteristics
| Compound ID: | 8012-8996 |
| Compound Name: | 7-(adamantan-1-yl)-8-[2-(3,4-diethoxyphenyl)ethyl]-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione |
| Molecular Weight: | 545.68 |
| Molecular Formula: | C31 H39 N5 O4 |
| Smiles: | CCOc1ccc(CCN2C(=Cn3c4C(N(C)C(N(C)c4nc23)=O)=O)C23CC4CC(CC(C4)C3)C2)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 5.735 |
| logD: | 5.735 |
| logSw: | -5.4041 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.386 |
| InChI Key: | YOZDAHIPRRIQRA-UHFFFAOYSA-N |