{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid
{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | D226-0138 |
| Compound Name: | {[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid |
| Molecular Weight: | 310.33 |
| Molecular Formula: | C12 H14 N4 O4 S |
| Smiles: | CN1C(c2c(nc(n2CC=C)SCC(O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9983 |
| logD: | -2.4456 |
| logSw: | -1.4894 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.92 |
| InChI Key: | WIMSLWJYNKMLIP-UHFFFAOYSA-N |