methyl {5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetate
Chemical Structure Depiction of
methyl {5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetate
methyl {5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetate
Compound characteristics
| Compound ID: | 8013-5475 |
| Compound Name: | methyl {5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetate |
| Molecular Weight: | 365.37 |
| Molecular Formula: | C13 H15 N7 O4 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2ncnn2CC(=O)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3138 |
| logD: | 0.3138 |
| logSw: | -1.2898 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.256 |
| InChI Key: | XZFCGLZEYSZYKB-UHFFFAOYSA-N |