N-(4-acetamidophenyl)-2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-acetamidophenyl)-2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-2837 |
| Compound Name: | N-(4-acetamidophenyl)-2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C26 H28 N6 O2 S |
| Smiles: | CC(Nc1ccc(cc1)NC(CSc1nnc(Cc2cccn2C)n1c1cccc(C)c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9058 |
| logD: | 3.9057 |
| logSw: | -4.0051 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.697 |
| InChI Key: | GDXNNUXSUXBXOU-UHFFFAOYSA-N |