3,4-dimethoxy-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
3,4-dimethoxy-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
3,4-dimethoxy-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: | A0062321 |
| Compound Name: | 3,4-dimethoxy-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: | 578.59 |
| Molecular Formula: | C24 H21 F3 N6 O4 S2 |
| Smiles: | COc1ccc(cc1OC)C(NCc1nnc(n1c1cccc(c1)C(F)(F)F)SCC(Nc1nccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2098 |
| logD: | 3.2094 |
| logSw: | -3.6282 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.262 |
| InChI Key: | RKSGQLRJXGVTDM-UHFFFAOYSA-N |