2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethoxyphenyl)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-(2-ethoxyphenyl)acetamide
2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C592-2831 |
| Compound Name: | 2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethoxyphenyl)acetamide |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C26 H29 N5 O2 S |
| Smiles: | CCOc1ccccc1NC(CSc1nnc(Cc2cccn2C)n1c1cccc(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8792 |
| logD: | 4.8791 |
| logSw: | -4.461 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.947 |
| InChI Key: | XPPLIQMLAGFLCK-UHFFFAOYSA-N |