4-{[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid
4-{[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid
Compound characteristics
| Compound ID: | K292-1894 |
| Compound Name: | 4-{[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid |
| Molecular Weight: | 555.43 |
| Molecular Formula: | C23 H15 Br N4 O4 S2 |
| Smiles: | C(c1ccc(cc1)C(O)=O)N1C(=Nc2ccsc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6649 |
| logD: | 0.6934 |
| logSw: | -3.924 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.703 |
| InChI Key: | NFIQMJLFMHXQNI-UHFFFAOYSA-N |