N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl)-3,4-dimethoxybenzamide
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-dimethoxybenzamide
N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl)-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | D009-0145 |
| 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-dimethoxybenzamide |
| Molecular Weight: | 615.71 |
| Molecular Formula: | C32 H33 N5 O6 S |
| Smiles: | CN(C)S(n1cc(/C=C(/C(NCCc2c[nH]c3ccccc23)=O)NC(c2ccc(c(c2)OC)OC)=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3241 |
| logD: | 2.7142 |
| logSw: | -3.6278 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.901 |
| InChI Key: | VVCNPUUCRTZCGG-UHFFFAOYSA-N |