[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid
Chemical Structure Depiction of
[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid
[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid
Compound characteristics
| Compound ID: | 8009-3114 |
| Compound Name: | [(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid |
| Molecular Weight: | 284.29 |
| Molecular Formula: | C10 H12 N4 O4 S |
| Smiles: | CN1C(c2c(nc(n2C)SCC(O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.172 |
| logD: | -3.2719 |
| logSw: | -0.8299 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.752 |
| InChI Key: | VERREKXUARXHSG-UHFFFAOYSA-N |