4-({6-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
Chemical Structure Depiction of
4-({6-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
4-({6-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
Compound characteristics
| Compound ID: | K284-5888 |
| Compound Name: | 4-({6-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide |
| Molecular Weight: | 558.61 |
| Molecular Formula: | C29 H26 N4 O6 S |
| Smiles: | COc1ccc(CCNC(c2ccc(CN3C(=Nc4cc5c(cc4C3=O)OCO5)SCC#N)cc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.2691 |
| logD: | 3.2691 |
| logSw: | -3.6083 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.165 |
| InChI Key: | GDICIUAFLNRWIP-UHFFFAOYSA-N |