2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C677-0076 |
| Compound Name: | 2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C22 H27 N5 O S |
| Smiles: | Cc1ccc(cc1)n1c(Cc2cccn2C)nnc1SCC(N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5218 |
| logD: | 3.5216 |
| logSw: | -3.5802 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.979 |
| InChI Key: | NKPFAWXPRPDMGK-UHFFFAOYSA-N |