N-{[4-(2,5-dimethylphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-{[4-(2,5-dimethylphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide
N-{[4-(2,5-dimethylphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | A0062309 |
| Compound Name: | N-{[4-(2,5-dimethylphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide |
| Molecular Weight: | 538.65 |
| Molecular Formula: | C25 H26 N6 O4 S2 |
| Smiles: | Cc1ccc(C)c(c1)n1c(CNC(c2cc(cc(c2)OC)OC)=O)nnc1SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9581 |
| logD: | 3.9577 |
| logSw: | -4.0879 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.788 |
| InChI Key: | HNMQDHAZNVXSGW-UHFFFAOYSA-N |