benzyl [(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
Chemical Structure Depiction of
benzyl [(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
benzyl [(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | G856-8505 |
| Compound Name: | benzyl [(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetate |
| Molecular Weight: | 374.42 |
| Molecular Formula: | C17 H18 N4 O4 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCC(=O)OCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5632 |
| logD: | 2.5632 |
| logSw: | -2.6487 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.574 |
| InChI Key: | SZCPUGMJEXUCIS-UHFFFAOYSA-N |