N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl}-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl}-3,4,5-trimethoxybenzamide
N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl}-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | D009-0181 |
| Compound Name: | N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl}-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 585.68 |
| Molecular Formula: | C28 H35 N5 O7 S |
| Smiles: | CN1CCN(CC1)C(/C(=C/c1cn(c2ccccc12)S(N(C)C)(=O)=O)NC(c1cc(c(c(c1)OC)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6922 |
| logD: | 1.1336 |
| logSw: | -2.6263 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.617 |
| InChI Key: | JYFFBGPQHVDVRB-UHFFFAOYSA-N |