3-fluoro-N-{[4-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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: | C592-3220 |
| Compound Name: | 3-fluoro-N-{[4-(2-methoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 498.56 |
| Molecular Formula: | C22 H19 F N6 O3 S2 |
| Smiles: | COc1ccccc1n1c(CNC(c2cccc(c2)F)=O)nnc1SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6593 |
| logD: | 2.6589 |
| logSw: | -3.242 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.331 |
| InChI Key: | OZJNUIQOKGZGDU-UHFFFAOYSA-N |