3-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(4-fluorophenyl)methyl]propanamide
Chemical Structure Depiction of
3-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(4-fluorophenyl)methyl]propanamide
3-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(4-fluorophenyl)methyl]propanamide
Compound characteristics
| Compound ID: | K284-3005 |
| Compound Name: | 3-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(4-fluorophenyl)methyl]propanamide |
| Molecular Weight: | 550.01 |
| Molecular Formula: | C27 H21 Cl F N5 O3 S |
| Smiles: | C(CN1C(=Nc2ccccc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6288 |
| logD: | 2.6287 |
| logSw: | -3.7514 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.726 |
| InChI Key: | IHUBBGVCDGSCSE-UHFFFAOYSA-N |