N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(1H-indol-3-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-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl)-3,4,5-trimethoxybenzamide
N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl)-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | D009-0168 |
| Compound Name: | N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl)-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 645.74 |
| Molecular Formula: | C33 H35 N5 O7 S |
| Smiles: | CN(C)S(n1cc(/C=C(/C(NCCc2c[nH]c3ccccc23)=O)NC(c2cc(c(c(c2)OC)OC)OC)=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4807 |
| logD: | 3.2351 |
| logSw: | -3.8351 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.618 |
| InChI Key: | FXGVUPLJOXYIMN-UHFFFAOYSA-N |