N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-2-chlorobenzamide
Chemical Structure Depiction of
N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-2-chlorobenzamide
N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-2-chlorobenzamide
Compound characteristics
| Compound ID: | D009-0068 |
| Compound Name: | N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-2-chlorobenzamide |
| Molecular Weight: | 529.06 |
| Molecular Formula: | C26 H29 Cl N4 O4 S |
| Smiles: | CN(C)S(n1cc(/C=C(/C(N2CCCCCC2)=O)NC(c2ccccc2[Cl])=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0444 |
| logD: | 1.1665 |
| logSw: | -4.3173 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.494 |
| InChI Key: | QAWRXSUQCAEYDG-UHFFFAOYSA-N |