2-[(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(piperidin-1-yl)ethan-1-one
2-[(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C592-3795 |
| Compound Name: | 2-[(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 481.66 |
| Molecular Formula: | C23 H23 N5 O S3 |
| Smiles: | C1CCN(CC1)C(CSc1nnc(CSc2nc3ccccc3s2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7002 |
| logD: | 4.7001 |
| logSw: | -4.5216 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.163 |
| InChI Key: | LLJZOJHKQFECPX-UHFFFAOYSA-N |