methyl 5-({3-(4-fluorophenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({3-(4-fluorophenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)furan-2-carboxylate
methyl 5-({3-(4-fluorophenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | V029-2171 |
| Compound Name: | methyl 5-({3-(4-fluorophenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)furan-2-carboxylate |
| Molecular Weight: | 468.44 |
| Molecular Formula: | C23 H21 F N4 O6 |
| Salt: | not_available |
| Smiles: | COC(c1ccc(Cn2cnc3c2C(N(CC2CCCO2)C(N3c2ccc(cc2)F)=O)=O)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7966 |
| logD: | 1.7966 |
| logSw: | -2.1101 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.944 |
| InChI Key: | MXFBRUZSQPFCML-MRXNPFEDSA-N |