2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4(3H)-one
2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-3072 |
| Compound Name: | 2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4(3H)-one |
| Molecular Weight: | 587.1 |
| Molecular Formula: | C30 H27 Cl N6 O3 S |
| Smiles: | C(CN1C(=Nc2ccccc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.681 |
| logD: | 2.6809 |
| logSw: | -3.7866 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.908 |
| InChI Key: | FWPBCOKHCXEXKO-UHFFFAOYSA-N |