methyl 4-[6-carbamoyl-9-(4-fluorophenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purin-2-yl]benzoate
Chemical Structure Depiction of
methyl 4-[6-carbamoyl-9-(4-fluorophenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purin-2-yl]benzoate
methyl 4-[6-carbamoyl-9-(4-fluorophenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purin-2-yl]benzoate
Compound characteristics
| Compound ID: | G656-0979 |
| Compound Name: | methyl 4-[6-carbamoyl-9-(4-fluorophenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purin-2-yl]benzoate |
| Molecular Weight: | 421.39 |
| Molecular Formula: | C21 H16 F N5 O4 |
| Smiles: | CN1C(N(c2ccc(cc2)F)c2c1c(C(N)=O)nc(c1ccc(cc1)C(=O)OC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4381 |
| logD: | 3.4381 |
| logSw: | -3.7431 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.017 |
| InChI Key: | XFBHQFIUXFGTRR-UHFFFAOYSA-N |