N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl)-4-methylbenzamide
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)-4-methylbenzamide
N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl)-4-methylbenzamide
Compound characteristics
| Compound ID: | D009-0077 |
| Compound Name: | N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl)-4-methylbenzamide |
| Molecular Weight: | 569.68 |
| Molecular Formula: | C31 H31 N5 O4 S |
| Smiles: | Cc1ccc(cc1)C(NC(=C/c1cn(c2ccccc12)S(N(C)C)(=O)=O)\C(NCCc1c[nH]c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1233 |
| logD: | 2.61 |
| logSw: | -4.0294 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.64 |
| InChI Key: | QLZJSVOMYRIXOI-UHFFFAOYSA-N |