6-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
6-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
6-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | K284-5558 |
| Compound Name: | 6-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 631.11 |
| Molecular Formula: | C31 H27 Cl N6 O5 S |
| Smiles: | C(CN1C(=Nc2cc3c(cc2C1=O)OCO3)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2485 |
| logD: | 3.2485 |
| logSw: | -3.8108 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.023 |
| InChI Key: | PDPGDWOEMZPQRA-UHFFFAOYSA-N |