4-[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]butanamide
Chemical Structure Depiction of
4-[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]butanamide
4-[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]butanamide
Compound characteristics
| Compound ID: | K284-5600 |
| Compound Name: | 4-[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]butanamide |
| Molecular Weight: | 620.08 |
| Molecular Formula: | C30 H26 Cl N5 O6 S |
| Smiles: | COc1ccc(CNC(CCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8964 |
| logD: | 2.8964 |
| logSw: | -3.679 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.386 |
| InChI Key: | KLQOSOWELJTCEQ-UHFFFAOYSA-N |