N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[(furan-2-yl)methyl]amino}-3-oxoprop-1-en-2-yl)-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[(furan-2-yl)methyl]amino}-3-oxoprop-1-en-2-yl)-3,4,5-trimethoxybenzamide
N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[(furan-2-yl)methyl]amino}-3-oxoprop-1-en-2-yl)-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | D009-0166 |
| Compound Name: | N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[(furan-2-yl)methyl]amino}-3-oxoprop-1-en-2-yl)-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 582.63 |
| Molecular Formula: | C28 H30 N4 O8 S |
| Smiles: | CN(C)S(n1cc(/C=C(/C(NCc2ccco2)=O)NC(c2cc(c(c(c2)OC)OC)OC)=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9465 |
| logD: | 2.804 |
| logSw: | -3.5656 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.655 |
| InChI Key: | JPKBPABUNANPFO-UHFFFAOYSA-N |