3-benzyl-2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-6-(piperidin-1-yl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-6-(piperidin-1-yl)quinazolin-4(3H)-one
3-benzyl-2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-6-(piperidin-1-yl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-5017 |
| Compound Name: | 3-benzyl-2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-6-(piperidin-1-yl)quinazolin-4(3H)-one |
| Molecular Weight: | 588.53 |
| Molecular Formula: | C29 H26 Br N5 O2 S |
| Smiles: | C1CCN(CC1)c1ccc2c(c1)C(N(Cc1ccccc1)C(=N2)SCC1=CC(N2C=C(C=CC2=N1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6106 |
| logD: | 4.6106 |
| logSw: | -4.3348 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.729 |
| InChI Key: | WTBLECKHWGPQFA-UHFFFAOYSA-N |