4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzamide
Chemical Structure Depiction of
4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzamide
4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzamide
Compound characteristics
| Compound ID: | K781-1455 |
| Compound Name: | 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzamide |
| Molecular Weight: | 648.7 |
| Molecular Formula: | C31 H35 F3 N4 O6 S |
| Smiles: | COc1ccc(CCNc2ccc(cc2S(Nc2cccc(c2)C(F)(F)F)(=O)=O)C(NCCCN2CCCC2=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.1229 |
| logD: | 1.3743 |
| logSw: | -3.6009 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.294 |
| InChI Key: | OOVAWZSAZGZCCX-UHFFFAOYSA-N |