6-[2-{[(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid
Chemical Structure Depiction of
6-[2-{[(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid
6-[2-{[(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid
Compound characteristics
| Compound ID: | K292-1627 |
| Compound Name: | 6-[2-{[(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C22 H20 N2 O6 S2 |
| Smiles: | C(CCC(O)=O)CCN1C(=Nc2ccsc2C1=O)SCC1=CC(=O)Oc2cc(ccc12)O |
| Stereo: | ACHIRAL |
| logP: | 2.8334 |
| logD: | 0.0052 |
| logSw: | -3.4424 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.448 |
| InChI Key: | GJXLCFKRFMFZBT-UHFFFAOYSA-N |