N-(3,5-dimethylphenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3,5-dimethylphenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C677-0019 |
| Compound Name: | N-(3,5-dimethylphenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C26 H29 N5 O S |
| Smiles: | Cc1cc(C)cc(c1)NC(CSc1nnc(Cc2cccn2C)n1CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8839 |
| logD: | 4.8839 |
| logSw: | -4.615 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.971 |
| InChI Key: | WOSNAXXZODUSDT-UHFFFAOYSA-N |