ethyl [(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
ethyl [(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8009-6758 |
| Compound Name: | ethyl [(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate |
| Molecular Weight: | 312.34 |
| Molecular Formula: | C12 H16 N4 O4 S |
| Smiles: | CCOC(CSc1nc2c(C(N(C)C(N2C)=O)=O)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2937 |
| logD: | 1.2935 |
| logSw: | -1.5071 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.526 |
| InChI Key: | GASFFLWTFGKVIO-UHFFFAOYSA-N |