6-[6-{[(2-fluorophenyl)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-{[(2-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]hexanamide
6-[6-{[(2-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]hexanamide
Compound characteristics
| Compound ID: | K284-5726 |
| Compound Name: | 6-[6-{[(2-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]hexanamide |
| Molecular Weight: | 563.65 |
| Molecular Formula: | C30 H30 F N3 O5 S |
| Smiles: | COc1ccc(CNC(CCCCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCc2ccccc2F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5036 |
| logD: | 5.5036 |
| logSw: | -5.2559 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.88 |
| InChI Key: | KMXKMWMZSJWLIH-UHFFFAOYSA-N |