methyl {4-[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]phenyl}acetate
Chemical Structure Depiction of
methyl {4-[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]phenyl}acetate
methyl {4-[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]phenyl}acetate
Compound characteristics
| Compound ID: | 8015-9024 |
| Compound Name: | methyl {4-[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]phenyl}acetate |
| Molecular Weight: | 473.49 |
| Molecular Formula: | C25 H23 N5 O5 |
| Smiles: | CN1C(c2c(nc3N(C(=Cn23)c2ccc(cc2)OC)c2ccc(CC(=O)OC)cc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1326 |
| logD: | 3.1326 |
| logSw: | -3.2225 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.465 |
| InChI Key: | VTTTVGJONYFFIZ-UHFFFAOYSA-N |