3-[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid
Chemical Structure Depiction of
3-[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid
3-[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid
Compound characteristics
| Compound ID: | K292-1858 |
| Compound Name: | 3-[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid |
| Molecular Weight: | 493.36 |
| Molecular Formula: | C18 H13 Br N4 O4 S2 |
| Smiles: | C(CN1C(=Nc2ccsc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Br])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0674 |
| logD: | -1.4652 |
| logSw: | -1.9722 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.929 |
| InChI Key: | MMHSDIQFAAGHOX-UHFFFAOYSA-N |