3-bromo-N-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]benzamide
Chemical Structure Depiction of
3-bromo-N-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]benzamide
3-bromo-N-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]benzamide
Compound characteristics
| Compound ID: | K292-1838 |
| Compound Name: | 3-bromo-N-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]benzamide |
| Molecular Weight: | 540.42 |
| Molecular Formula: | C22 H14 Br N5 O3 S2 |
| Smiles: | C(C1=CC(N2C=CC=CC2=N1)=O)SC1=Nc2ccsc2C(N1NC(c1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0871 |
| logD: | 3.0815 |
| logSw: | -3.5409 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.177 |
| InChI Key: | SVOZGZCEDCWZNT-UHFFFAOYSA-N |