N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl)-2-fluorobenzamide
Chemical Structure Depiction of
N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl)-2-fluorobenzamide
N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl)-2-fluorobenzamide
Compound characteristics
| Compound ID: | D009-0030 |
| Compound Name: | N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl)-2-fluorobenzamide |
| Molecular Weight: | 594.66 |
| Molecular Formula: | C30 H31 F N4 O6 S |
| Smiles: | CN(C)S(n1cc(/C=C(/C(NCCc2ccc(c(c2)OC)OC)=O)NC(c2ccccc2F)=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8486 |
| logD: | 0.5078 |
| logSw: | -3.48 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.03 |
| InChI Key: | PIAXZMMDNUEMJY-UHFFFAOYSA-N |