ethyl {6-carbamoyl-9-(3,4-dimethylphenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
ethyl {6-carbamoyl-9-(3,4-dimethylphenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purin-7-yl}acetate
ethyl {6-carbamoyl-9-(3,4-dimethylphenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | G656-1315 |
| Compound Name: | ethyl {6-carbamoyl-9-(3,4-dimethylphenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C25 H25 N5 O4 S |
| Smiles: | CCOC(CN1C(N(c2ccc(C)c(C)c2)c2c1c(C(N)=O)nc(c1ccc(cc1)SC)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4417 |
| logD: | 5.4417 |
| logSw: | -5.2811 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.237 |
| InChI Key: | ZLPXANWXWPJBOV-UHFFFAOYSA-N |