1-(4-methylpiperidin-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(4-methylpiperidin-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(4-methylpiperidin-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | C677-0005 |
| Compound Name: | 1-(4-methylpiperidin-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 437.61 |
| Molecular Formula: | C24 H31 N5 O S |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(Cc2cccn2C)n1CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7842 |
| logD: | 3.7839 |
| logSw: | -3.8741 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.214 |
| InChI Key: | CVOONTPOZRYVNI-UHFFFAOYSA-N |