methyl [(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
methyl [(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8008-8569 |
| Compound Name: | methyl [(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate |
| Molecular Weight: | 298.32 |
| Molecular Formula: | C11 H14 N4 O4 S |
| Smiles: | CN1C(c2c(nc(n2C)SCC(=O)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7026 |
| logD: | 0.7024 |
| logSw: | -1.1031 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.947 |
| InChI Key: | AJXKTUCCRXELPY-UHFFFAOYSA-N |