N-{[4-(4-bromophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{[4-(4-bromophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,4-dimethoxybenzamide
N-{[4-(4-bromophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | K400-05846 |
| Compound Name: | N-{[4-(4-bromophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,4-dimethoxybenzamide |
| Molecular Weight: | 589.49 |
| Molecular Formula: | C23 H21 Br N6 O4 S2 |
| Smiles: | COc1ccc(C(NCc2nnc(n2c2ccc(cc2)[Br])SCC(Nc2nccs2)=O)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.916 |
| logD: | 3.9156 |
| logSw: | -4.1486 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.176 |
| InChI Key: | FMBHSDGDJCYAHG-UHFFFAOYSA-N |