3,4,5-trimethoxy-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
3,4,5-trimethoxy-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
3,4,5-trimethoxy-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: | A0062095 |
| Compound Name: | 3,4,5-trimethoxy-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: | 608.62 |
| Molecular Formula: | C25 H23 F3 N6 O5 S2 |
| Smiles: | COc1cc(cc(c1OC)OC)C(NCc1nnc(n1c1cccc(c1)C(F)(F)F)SCC(Nc1nccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3664 |
| logD: | 3.3659 |
| logSw: | -3.7668 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.979 |
| InChI Key: | NJJLXGWLIBKVKS-UHFFFAOYSA-N |