N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-2-methoxybenzamide
Chemical Structure Depiction of
N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-2-methoxybenzamide
N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-2-methoxybenzamide
Compound characteristics
| Compound ID: | D009-0113 |
| Compound Name: | N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-2-methoxybenzamide |
| Molecular Weight: | 524.64 |
| Molecular Formula: | C27 H32 N4 O5 S |
| Smiles: | CN(C)S(n1cc(/C=C(/C(N2CCCCCC2)=O)NC(c2ccccc2OC)=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4143 |
| logD: | 0.1936 |
| logSw: | -3.7217 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.124 |
| InChI Key: | PTLQLHGFCJBCHW-UHFFFAOYSA-N |