N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl}-3,4-dimethoxybenzamide
N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | D009-0157 |
| Compound Name: | N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 555.65 |
| Molecular Formula: | C27 H33 N5 O6 S |
| Smiles: | CN1CCN(CC1)C(/C(=C/c1cn(c2ccccc12)S(N(C)C)(=O)=O)NC(c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5356 |
| logD: | 0.4705 |
| logSw: | -2.5295 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.9 |
| InChI Key: | XHZFIOQKHBIGSZ-UHFFFAOYSA-N |