N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide
Compound characteristics
Compound ID: | K284-5537 |
Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide |
Molecular Weight: | 618.71 |
Molecular Formula: | C32 H34 N4 O7 S |
Smiles: | CCc1ccc(cc1)NC(CSC1=Nc2cc3c(cc2C(N1CCC(NCCc1ccc(c(c1)OC)OC)=O)=O)OCO3)=O |
Stereo: | ACHIRAL |
logP: | 4.0981 |
logD: | 4.0981 |
logSw: | -4.1492 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 105.588 |
InChI Key: | ILSDAFAWSBVAQJ-UHFFFAOYSA-N |