9-(4-fluorophenyl)-7-methyl-8-oxo-2-(2,3,4-trimethoxyphenyl)-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
9-(4-fluorophenyl)-7-methyl-8-oxo-2-(2,3,4-trimethoxyphenyl)-8,9-dihydro-7H-purine-6-carboxamide
9-(4-fluorophenyl)-7-methyl-8-oxo-2-(2,3,4-trimethoxyphenyl)-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | G656-0946 |
| Compound Name: | 9-(4-fluorophenyl)-7-methyl-8-oxo-2-(2,3,4-trimethoxyphenyl)-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 453.43 |
| Molecular Formula: | C22 H20 F N5 O5 |
| Smiles: | CN1C(N(c2ccc(cc2)F)c2c1c(C(N)=O)nc(c1ccc(c(c1OC)OC)OC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3174 |
| logD: | 2.3174 |
| logSw: | -2.8574 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.908 |
| InChI Key: | SMNMFHVTTYAGAT-UHFFFAOYSA-N |