2-fluoro-N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
2-fluoro-N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
2-fluoro-N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | C592-0470 |
| Compound Name: | 2-fluoro-N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 486.52 |
| Molecular Formula: | C21 H16 F2 N6 O2 S2 |
| Smiles: | C(c1nnc(n1c1ccc(cc1)F)SCC(Nc1nccs1)=O)NC(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0695 |
| logD: | 3.0691 |
| logSw: | -3.7356 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.001 |
| InChI Key: | VHQBMLPYMGJORB-UHFFFAOYSA-N |