4-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]butanoic acid
Chemical Structure Depiction of
4-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]butanoic acid
4-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]butanoic acid
Compound characteristics
| Compound ID: | K292-1400 |
| Compound Name: | 4-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]butanoic acid |
| Molecular Weight: | 462.93 |
| Molecular Formula: | C19 H15 Cl N4 O4 S2 |
| Smiles: | C(CC(O)=O)CN1C(=Nc2ccsc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2818 |
| logD: | -1.5318 |
| logSw: | -2.4602 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.929 |
| InChI Key: | BKSQIBAEBMNMDO-UHFFFAOYSA-N |