N-(3-{[2-(diethylamino)ethyl]amino}-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl)-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-(3-{[2-(diethylamino)ethyl]amino}-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl)-3,4,5-trimethoxybenzamide
N-(3-{[2-(diethylamino)ethyl]amino}-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl)-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | D009-0172 |
| Compound Name: | N-(3-{[2-(diethylamino)ethyl]amino}-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl)-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 601.72 |
| Molecular Formula: | C29 H39 N5 O7 S |
| Smiles: | CCN(CC)CCNC(/C(=C/c1cn(c2ccccc12)S(N(C)C)(=O)=O)NC(c1cc(c(c(c1)OC)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4121 |
| logD: | 0.6607 |
| logSw: | -3.0616 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.43 |
| InChI Key: | OVWQOABFYWHXCC-UHFFFAOYSA-N |