methyl [(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
methyl [(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8010-2913 |
| Compound Name: | methyl [(7-ethyl-1,3-dimethyl-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: | CCn1c2C(N(C)C(N(C)c2nc1SCC(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3171 |
| logD: | 1.3165 |
| logSw: | -1.4452 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.861 |
| InChI Key: | YLROFJFQYJTOLS-UHFFFAOYSA-N |