7-ethyl-9-(4-fluorophenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
7-ethyl-9-(4-fluorophenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
7-ethyl-9-(4-fluorophenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | G656-0902 |
| Compound Name: | 7-ethyl-9-(4-fluorophenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C21 H18 F N5 O2 S |
| Smiles: | CCN1C(N(c2ccc(cc2)F)c2c1c(C(N)=O)nc(c1ccc(cc1)SC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6045 |
| logD: | 4.6045 |
| logSw: | -4.5046 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.803 |
| InChI Key: | CERAXFMMYOKSID-UHFFFAOYSA-N |