N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}benzamide
Chemical Structure Depiction of
N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}benzamide
N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}benzamide
Compound characteristics
| Compound ID: | D009-0022 |
| Compound Name: | N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}benzamide |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C26 H30 N4 O4 S |
| Smiles: | CN(C)S(n1cc(/C=C(/C(N2CCCCCC2)=O)NC(c2ccccc2)=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4842 |
| logD: | 1.5414 |
| logSw: | -3.7126 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.494 |
| InChI Key: | AQCRBWNCFRYZOQ-UHFFFAOYSA-N |