3-[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]propanamide
Chemical Structure Depiction of
3-[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]propanamide
3-[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]propanamide
Compound characteristics
| Compound ID: | K284-5539 |
| Compound Name: | 3-[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]propanamide |
| Molecular Weight: | 650.71 |
| Molecular Formula: | C32 H34 N4 O9 S |
| Smiles: | COc1ccc(c(c1)OC)NC(CSC1=Nc2cc3c(cc2C(N1CCC(NCCc1ccc(c(c1)OC)OC)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9127 |
| logD: | 2.9126 |
| logSw: | -3.5893 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.064 |
| InChI Key: | LHNAKXADXJUYAA-UHFFFAOYSA-N |