2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]quinazolin-4(3H)-one
2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-4372 |
| Compound Name: | 2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]quinazolin-4(3H)-one |
| Molecular Weight: | 510.01 |
| Molecular Formula: | C25 H24 Cl N5 O3 S |
| Smiles: | C1CCN(C1)C(CCCN1C(=Nc2ccccc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8329 |
| logD: | 1.8329 |
| logSw: | -3.0094 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.013 |
| InChI Key: | LXJWHQIAGLNCGV-UHFFFAOYSA-N |