methyl 5-({3-(4-fluorophenyl)-1-[(furan-2-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({3-(4-fluorophenyl)-1-[(furan-2-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)furan-2-carboxylate
methyl 5-({3-(4-fluorophenyl)-1-[(furan-2-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | V029-3080 |
| Compound Name: | methyl 5-({3-(4-fluorophenyl)-1-[(furan-2-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)furan-2-carboxylate |
| Molecular Weight: | 464.41 |
| Molecular Formula: | C23 H17 F N4 O6 |
| Salt: | not_available |
| Smiles: | COC(c1ccc(Cn2cnc3c2C(N(Cc2ccco2)C(N3c2ccc(cc2)F)=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6091 |
| logD: | 2.6091 |
| logSw: | -2.6534 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.038 |
| InChI Key: | CKASRJHANWFKQK-UHFFFAOYSA-N |