2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-({3-[(methanesulfonyl)amino]-2,4-dimethylphenyl}methyl)acetamide
Chemical Structure Depiction of
2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-({3-[(methanesulfonyl)amino]-2,4-dimethylphenyl}methyl)acetamide
2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-({3-[(methanesulfonyl)amino]-2,4-dimethylphenyl}methyl)acetamide
Compound characteristics
| Compound ID: | 8016-9695 |
| Compound Name: | 2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-({3-[(methanesulfonyl)amino]-2,4-dimethylphenyl}methyl)acetamide |
| Molecular Weight: | 536.67 |
| Molecular Formula: | C26 H28 N6 O3 S2 |
| Smiles: | Cc1ccc(CNC(CSc2nnc(Nc3ccccc3)n2c2ccccc2)=O)c(C)c1NS(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9097 |
| logD: | 3.8955 |
| logSw: | -3.8979 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.747 |
| InChI Key: | WBQRMXYVYXQVSI-UHFFFAOYSA-N |