1-(azepan-1-yl)-2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(azepan-1-yl)-2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | C592-2751 |
| Compound Name: | 1-(azepan-1-yl)-2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 423.58 |
| Molecular Formula: | C23 H29 N5 O S |
| Smiles: | Cc1ccc(cc1)n1c(Cc2cccn2C)nnc1SCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0177 |
| logD: | 4.0175 |
| logSw: | -3.9618 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.31 |
| InChI Key: | LQBKXKFGMDYTSY-UHFFFAOYSA-N |