N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-2-yl}-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-2-yl}-3,4,5-trimethoxybenzamide
N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-2-yl}-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | D009-0163 |
| Compound Name: | N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-2-yl}-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 546.6 |
| Molecular Formula: | C25 H30 N4 O8 S |
| Smiles: | CN(C)S(n1cc(/C=C(/C(NCCO)=O)NC(c2cc(c(c(c2)OC)OC)OC)=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9834 |
| logD: | 0.729 |
| logSw: | -2.3574 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.674 |
| InChI Key: | AFJBROUCOPTPJL-UHFFFAOYSA-N |