N-{3-[butyl(methyl)amino]-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-2-fluorobenzamide
Chemical Structure Depiction of
N-{3-[butyl(methyl)amino]-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-2-fluorobenzamide
N-{3-[butyl(methyl)amino]-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-2-fluorobenzamide
Compound characteristics
| Compound ID: | D009-0038 |
| Compound Name: | N-{3-[butyl(methyl)amino]-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-2-fluorobenzamide |
| Molecular Weight: | 500.59 |
| Molecular Formula: | C25 H29 F N4 O4 S |
| Smiles: | CCCCN(C)C(/C(=C/c1cn(c2ccccc12)S(N(C)C)(=O)=O)NC(c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1485 |
| logD: | 0.25 |
| logSw: | -3.6177 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.915 |
| InChI Key: | NJWLXKPEEBBEHJ-UHFFFAOYSA-N |