methyl {4-[1,3-dimethyl-7-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]phenyl}acetate
Chemical Structure Depiction of
methyl {4-[1,3-dimethyl-7-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]phenyl}acetate
methyl {4-[1,3-dimethyl-7-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]phenyl}acetate
Compound characteristics
| Compound ID: | 8018-1499 |
| Compound Name: | methyl {4-[1,3-dimethyl-7-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]phenyl}acetate |
| Molecular Weight: | 457.49 |
| Molecular Formula: | C25 H23 N5 O4 |
| Smiles: | Cc1ccc(cc1)C1=Cn2c3C(N(C)C(N(C)c3nc2N1c1ccc(CC(=O)OC)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5736 |
| logD: | 3.5736 |
| logSw: | -3.5169 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.921 |
| InChI Key: | AOFWNQDCYMSRHA-UHFFFAOYSA-N |