{[3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid
{[3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | D226-0112 |
| Compound Name: | {[3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid |
| Molecular Weight: | 360.39 |
| Molecular Formula: | C16 H16 N4 O4 S |
| Smiles: | CN1C(NC(c2c1nc(n2CCc1ccccc1)SCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6846 |
| logD: | -1.7593 |
| logSw: | -2.2215 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.562 |
| InChI Key: | CBEAHRIXZQTTPK-UHFFFAOYSA-N |