3-methoxy-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-methoxy-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-methoxy-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: | A0062295 |
| Compound Name: | 3-methoxy-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: | 548.56 |
| Molecular Formula: | C23 H19 F3 N6 O3 S2 |
| Smiles: | COc1cccc(c1)C(NCc1nnc(n1c1cccc(c1)C(F)(F)F)SCC(Nc1nccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6477 |
| logD: | 3.6473 |
| logSw: | -4.1577 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.545 |
| InChI Key: | KDGCHLPRBKCGHT-UHFFFAOYSA-N |