3-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
3-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
3-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: | C592-3218 |
| Compound Name: | 3-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(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9115 |
| logD: | 2.9111 |
| logSw: | -3.3885 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.001 |
| InChI Key: | AJIXYPMXHYTPEZ-UHFFFAOYSA-N |