4-{[6-bromo-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
4-{[6-bromo-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
4-{[6-bromo-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | K284-4174 |
| Compound Name: | 4-{[6-bromo-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 606.5 |
| Molecular Formula: | C28 H24 Br N5 O4 S |
| Smiles: | COCCNC(c1ccc(CN2C(=Nc3ccc(cc3C2=O)[Br])SCC2=CC(N3C=CC=CC3=N2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.356 |
| logD: | 3.356 |
| logSw: | -3.7543 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.626 |
| InChI Key: | XONMHXFRTSKKMY-UHFFFAOYSA-N |