4-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-(2-phenylethyl)butanamide
Chemical Structure Depiction of
4-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-(2-phenylethyl)butanamide
4-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-(2-phenylethyl)butanamide
Compound characteristics
| Compound ID: | K284-3499 |
| Compound Name: | 4-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-(2-phenylethyl)butanamide |
| Molecular Weight: | 560.07 |
| Molecular Formula: | C29 H26 Cl N5 O3 S |
| Smiles: | C(CC(NCCc1ccccc1)=O)CN1C(=Nc2ccccc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1212 |
| logD: | 2.1212 |
| logSw: | -3.3386 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.568 |
| InChI Key: | WSCBIJSVACBMKB-UHFFFAOYSA-N |