2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-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-(5-ethyl-1,3,4-thiadiazol-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-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C592-2848 |
| Compound Name: | 2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 467.61 |
| Molecular Formula: | C22 H25 N7 O S2 |
| Smiles: | CCc1nnc(NC(CSc2nnc(Cc3cccn3C)n2c2cccc(C)c2C)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.296 |
| logD: | 4.2569 |
| logSw: | -4.3116 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.475 |
| InChI Key: | RIPGSRRYSUEOFG-UHFFFAOYSA-N |