N-(4-butylphenyl)-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-(4-butylphenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-butylphenyl)-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: | C677-0022 |
| Compound Name: | N-(4-butylphenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 487.67 |
| Molecular Formula: | C28 H33 N5 O S |
| Smiles: | CCCCc1ccc(cc1)NC(CSc1nnc(Cc2cccn2C)n1CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1602 |
| logD: | 6.1602 |
| logSw: | -5.4296 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.971 |
| InChI Key: | PKSKLZBOQWXFAR-UHFFFAOYSA-N |