1-(2-methylpiperidin-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2-methylpiperidin-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(2-methylpiperidin-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | G731-0049 |
| Compound Name: | 1-(2-methylpiperidin-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 316.42 |
| Molecular Formula: | C16 H20 N4 O S |
| Smiles: | CC1CCCCN1C(CSc1nnc(c2ccccc2)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3448 |
| logD: | 1.1531 |
| logSw: | -2.6044 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.151 |
| InChI Key: | IECCNLWWKGHLNE-LBPRGKRZSA-N |