6-[6-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
Chemical Structure Depiction of
6-[6-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
6-[6-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
Compound characteristics
Compound ID: | K284-5839 |
Compound Name: | 6-[6-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide |
Molecular Weight: | 692.79 |
Molecular Formula: | C35 H40 N4 O9 S |
Smiles: | COc1ccc(c(c1)OC)NC(CSC1=Nc2cc3c(cc2C(N1CCCCCC(NCCc1ccc(c(c1)OC)OC)=O)=O)OCO3)=O |
Stereo: | ACHIRAL |
logP: | 3.6695 |
logD: | 3.6695 |
logSw: | -3.9427 |
Hydrogen bond acceptors count: | 14 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 120.064 |
InChI Key: | PKKIAIVAWJSGAV-UHFFFAOYSA-N |