3-[(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoic acid
Chemical Structure Depiction of
3-[(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoic acid
3-[(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoic acid
Compound characteristics
| Compound ID: | D226-0131 |
| Compound Name: | 3-[(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoic acid |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C14 H20 N4 O4 S |
| Smiles: | CCCCCn1c2C(NC(N(C)c2nc1SCCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1354 |
| logD: | -0.5603 |
| logSw: | -2.3739 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.834 |
| InChI Key: | JEWAYRYQXKPQBI-UHFFFAOYSA-N |