N-[(4-methoxyphenyl)methyl]-6-[8-oxo-6-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-6-[8-oxo-6-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
N-[(4-methoxyphenyl)methyl]-6-[8-oxo-6-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
Compound characteristics
| Compound ID: | K284-5735 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-6-[8-oxo-6-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide |
| Molecular Weight: | 613.69 |
| Molecular Formula: | C32 H31 N5 O6 S |
| Smiles: | COc1ccc(CNC(CCCCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC2=CC(N3C=CC=CC3=N2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7113 |
| logD: | 3.7113 |
| logSw: | -4.0556 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.867 |
| InChI Key: | RVNKYORWZWJVMO-UHFFFAOYSA-N |