2-chloro-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl)benzamide
Chemical Structure Depiction of
2-chloro-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl)benzamide
2-chloro-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl)benzamide
Compound characteristics
| Compound ID: | D009-0053 |
| Compound Name: | 2-chloro-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl)benzamide |
| Molecular Weight: | 611.12 |
| Molecular Formula: | C30 H31 Cl N4 O6 S |
| Smiles: | CN(C)S(n1cc(/C=C(/C(NCCc2ccc(c(c2)OC)OC)=O)NC(c2ccccc2[Cl])=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3209 |
| logD: | 0.98 |
| logSw: | -3.8368 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.03 |
| InChI Key: | WJFXIAKNUFYQFG-UHFFFAOYSA-N |