methyl 4-[7-benzyl-6-carbamoyl-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-2-yl]benzoate
Chemical Structure Depiction of
methyl 4-[7-benzyl-6-carbamoyl-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-2-yl]benzoate
methyl 4-[7-benzyl-6-carbamoyl-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-2-yl]benzoate
Compound characteristics
| Compound ID: | G656-0774 |
| Compound Name: | methyl 4-[7-benzyl-6-carbamoyl-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-2-yl]benzoate |
| Molecular Weight: | 497.48 |
| Molecular Formula: | C27 H20 F N5 O4 |
| Smiles: | COC(c1ccc(cc1)c1nc(C(N)=O)c2c(n1)N(C(N2Cc1ccccc1)=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.278 |
| logD: | 5.278 |
| logSw: | -5.2821 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.98 |
| InChI Key: | XQOMTAJRNJBJPM-UHFFFAOYSA-N |