6-[6-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]hexanamide
Chemical Structure Depiction of
6-[6-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]hexanamide
6-[6-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]hexanamide
Compound characteristics
| Compound ID: | K284-5734 |
| Compound Name: | 6-[6-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]hexanamide |
| Molecular Weight: | 648.14 |
| Molecular Formula: | C32 H30 Cl N5 O6 S |
| Smiles: | COc1ccc(CNC(CCCCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9064 |
| logD: | 3.9064 |
| logSw: | -4.3866 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.386 |
| InChI Key: | GJNXOQULCUHJKH-UHFFFAOYSA-N |