2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C592-2846 |
| Compound Name: | 2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 452.6 |
| Molecular Formula: | C22 H24 N6 O S2 |
| Smiles: | Cc1cccc(c1C)n1c(Cc2cccn2C)nnc1SCC(Nc1nc(C)cs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2637 |
| logD: | 4.2586 |
| logSw: | -4.3296 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.288 |
| InChI Key: | DYKGQEHAQFHHDS-UHFFFAOYSA-N |