6-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid
Chemical Structure Depiction of
6-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid
6-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid
Compound characteristics
| Compound ID: | K292-1618 |
| Compound Name: | 6-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C21 H20 N4 O4 S2 |
| Smiles: | C(CCC(O)=O)CCN1C(=Nc2ccsc2C1=O)SCC1=CC(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0968 |
| logD: | -0.7314 |
| logSw: | -2.4778 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.41 |
| InChI Key: | DKGBFEOLOMYBAT-UHFFFAOYSA-N |