N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-3,4-dimethoxybenzamide
N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | D009-0158 |
| Compound Name: | N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 554.67 |
| Molecular Formula: | C28 H34 N4 O6 S |
| Smiles: | CN(C)S(n1cc(/C=C(/C(N2CCCCCC2)=O)NC(c2ccc(c(c2)OC)OC)=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2135 |
| logD: | 2.1484 |
| logSw: | -3.5208 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.755 |
| InChI Key: | SRDQHPMOSQQUSC-UHFFFAOYSA-N |