N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(morpholin-4-yl)ethyl]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-(morpholin-4-yl)ethyl]amino}-3-oxoprop-1-en-2-yl)-3,4,5-trimethoxybenzamide
N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(morpholin-4-yl)ethyl]amino}-3-oxoprop-1-en-2-yl)-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | D009-0169 |
| Compound Name: | N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(morpholin-4-yl)ethyl]amino}-3-oxoprop-1-en-2-yl)-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 615.71 |
| Molecular Formula: | C29 H37 N5 O8 S |
| Smiles: | CN(C)S(n1cc(/C=C(/C(NCCN2CCOCC2)=O)NC(c2cc(c(c(c2)OC)OC)OC)=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2682 |
| logD: | 0.9525 |
| logSw: | -2.4678 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.638 |
| InChI Key: | AUNCKOIFHRFCLM-UHFFFAOYSA-N |