6-{6-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)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-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(4-methoxyphenyl)methyl]hexanamide
6-{6-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(4-methoxyphenyl)methyl]hexanamide
Compound characteristics
Compound ID: | K284-5747 |
Compound Name: | 6-{6-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(4-methoxyphenyl)methyl]hexanamide |
Molecular Weight: | 592.67 |
Molecular Formula: | C30 H32 N4 O7 S |
Smiles: | COc1ccc(CNC(CCCCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(NCc2ccco2)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.0469 |
logD: | 4.0469 |
logSw: | -4.1262 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 107.1 |
InChI Key: | SPHBFYPBJDBSTQ-UHFFFAOYSA-N |