methyl 4-({3-(4-fluorophenyl)-1-[(furan-2-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({3-(4-fluorophenyl)-1-[(furan-2-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
methyl 4-({3-(4-fluorophenyl)-1-[(furan-2-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
Compound characteristics
| Compound ID: | V028-8241 |
| Compound Name: | methyl 4-({3-(4-fluorophenyl)-1-[(furan-2-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate |
| Molecular Weight: | 474.45 |
| Molecular Formula: | C25 H19 F N4 O5 |
| Salt: | not_available |
| Smiles: | COC(c1ccc(Cn2cnc3c2C(N(Cc2ccco2)C(N3c2ccc(cc2)F)=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.326 |
| logD: | 3.326 |
| logSw: | -3.4357 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.197 |
| InChI Key: | OLQBDHKDUOODTO-UHFFFAOYSA-N |