ethyl {6-carbamoyl-9-(4-fluorophenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
ethyl {6-carbamoyl-9-(4-fluorophenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purin-7-yl}acetate
ethyl {6-carbamoyl-9-(4-fluorophenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | G656-1027 |
| Compound Name: | ethyl {6-carbamoyl-9-(4-fluorophenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 481.5 |
| Molecular Formula: | C23 H20 F N5 O4 S |
| Smiles: | CCOC(CN1C(N(c2ccc(cc2)F)c2c1c(C(N)=O)nc(c1ccc(cc1)SC)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3382 |
| logD: | 4.3382 |
| logSw: | -4.3944 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.237 |
| InChI Key: | SJSFQMCLLAZESW-UHFFFAOYSA-N |