2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)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-phenylethyl)acetamide
2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide
Compound characteristics
Compound ID: | C592-2844 |
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-phenylethyl)acetamide |
Molecular Weight: | 459.61 |
Molecular Formula: | C26 H29 N5 O S |
Smiles: | Cc1cccc(c1C)n1c(Cc2cccn2C)nnc1SCC(NCCc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 4.1606 |
logD: | 4.1582 |
logSw: | -4.2876 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.598 |
InChI Key: | WITVDBUSZVJYCH-UHFFFAOYSA-N |