4-(dimethylsulfamoyl)-N-({5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Chemical Structure Depiction of
4-(dimethylsulfamoyl)-N-({5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
4-(dimethylsulfamoyl)-N-({5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Compound characteristics
| Compound ID: | A0062122 |
| Compound Name: | 4-(dimethylsulfamoyl)-N-({5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide |
| Molecular Weight: | 625.67 |
| Molecular Formula: | C24 H22 F3 N7 O4 S3 |
| Smiles: | CN(C)S(c1ccc(cc1)C(NCc1nnc(n1c1cccc(c1)C(F)(F)F)SCC(Nc1nccs1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9234 |
| logD: | 2.9229 |
| logSw: | -3.6352 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.665 |
| InChI Key: | YXLCJJBYACKOJP-UHFFFAOYSA-N |