N-(3-acetamidophenyl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-acetamidophenyl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3-acetamidophenyl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-3944 |
| Compound Name: | N-(3-acetamidophenyl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 398.49 |
| Molecular Formula: | C19 H22 N6 O2 S |
| Smiles: | CC(Nc1cccc(c1)NC(CSc1nnc(Cc2cccn2C)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4676 |
| logD: | 1.4676 |
| logSw: | -2.3315 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.336 |
| InChI Key: | ULJGTKFKCCTWCY-UHFFFAOYSA-N |