8-[2-(adamantan-1-yl)ethyl]-7-(4-chlorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Chemical Structure Depiction of
8-[2-(adamantan-1-yl)ethyl]-7-(4-chlorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
8-[2-(adamantan-1-yl)ethyl]-7-(4-chlorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Compound characteristics
| Compound ID: | 8012-9837 |
| Compound Name: | 8-[2-(adamantan-1-yl)ethyl]-7-(4-chlorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione |
| Molecular Weight: | 492.02 |
| Molecular Formula: | C27 H30 Cl N5 O2 |
| Smiles: | CN1C(c2c(nc3N(CCC45CC6CC(CC(C6)C5)C4)C(=Cn23)c2ccc(cc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3128 |
| logD: | 6.3128 |
| logSw: | -6.3373 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.966 |
| InChI Key: | ISBXMXQXYUKEBQ-UHFFFAOYSA-N |