7-(adamantan-1-yl)-8-(3-hydroxypropyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Chemical Structure Depiction of
7-(adamantan-1-yl)-8-(3-hydroxypropyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
7-(adamantan-1-yl)-8-(3-hydroxypropyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Compound characteristics
| Compound ID: | 8013-0510 |
| Compound Name: | 7-(adamantan-1-yl)-8-(3-hydroxypropyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C22 H29 N5 O3 |
| Smiles: | CN1C(c2c(nc3N(CCCO)C(=Cn23)C23CC4CC(CC(C4)C3)C2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5054 |
| logD: | 3.5053 |
| logSw: | -3.4467 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.893 |
| InChI Key: | NKTNYPFQVJFMGB-UHFFFAOYSA-N |